<common-name>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid</common-name> <description>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid has the chemical formula C44H69NO12. With an average molecular weight of 804.00 g/mol, (3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>56843708</pubchem-id> <chemical-formula>C44H69NO12</chemical-formula> <weight>804</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T02:45:47Z</created-at> <updated-at type="dateTime">2026-09-01T02:45:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)O)C)C)C)(COC(=O)NCC6=CC=C(C=C6)C)O)C</moldb-smiles> <moldb-formula>C44H69NO12</moldb-formula> <moldb-inchi>InChI=1S/C44H69NO12/c1-24-11-13-31(14-12-24)22-45-40(49)52-23-44(50)27(4)19-25(2)35(56-44)33-20-26(3)38(53-33)42(9)16-15-34(54-42)41(8)17-18-43(57-41)21-32(46)28(5)37(55-43)29(6)36(51-10)30(7)39(47)48/h11-14,25-30,32-38,46,50H,15-23H2,1-10H3,(H,45,49)(H,47,48)/t25-,26-,27+,28+,29-,30?,32-,33+,34+,35-,36+,37-,38+,41-,42-,43+,44-/m0/s1</moldb-inchi> <moldb-inchikey>WPMVTTLNDMKOSG-HCYFNSCLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">803.4819766</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM352486</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306843</sync-id> <structure-inchikey>WPMVTTLNDMKOSG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000001040000000080000000000000001080000080000400010c0012000102000018000002000002500000000000040000000002008000000000000840000000100000000000000000000000000200208000210001002000000000001000000000000110000000404000000000200000000201000000000000000000001000000000484200000000080000800000a02000002000200000000000004000200008000400040000010080000800000104000000100001000000000000200000000000000400000010000000000000000000000000000020200002220000000001000011008008005000400400000004c0004000000000000000000008200008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��9��>��€��`��`��`��`�� `��`��`��`��`�� `��`��`�� `��`�� `��`��`��`�� `��`��`��`��`��(��(��h�� `��`��`��`��`��`��`��(��(��(��h��`��@(��@h��@h��@(��@h��@h��`��`��`�� !(� " �#�#$��%��&��'��(� )��*�*+�+, ,-(�,. ./�/0�01h�12h�23h�34h�45h�36��7��8��50h�B�� 123450��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:24Z</structure-indexed-at> </compound>

356593 <common-name>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid</common-name> <description>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid has the chemical formula C44H69NO12. With an average molecular weight of 804.00 g/mol, (3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>56843708</pubchem-id> <chemical-formula>C44H69NO12</chemical-formula> <weight>804</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-09-01T02:45:47Z</created-at> <updated-at type="dateTime">2026-09-01T02:45:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC1CC(C(OC1C2CC(C(O2)C3(CCC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C(C(C)C(=O)O)OC)C)O)C)C)C)(COC(=O)NCC6=CC=C(C=C6)C)O)C</moldb-smiles> <moldb-formula>C44H69NO12</moldb-formula> <moldb-inchi>InChI=1S/C44H69NO12/c1-24-11-13-31(14-12-24)22-45-40(49)52-23-44(50)27(4)19-25(2)35(56-44)33-20-26(3)38(53-33)42(9)16-15-34(54-42)41(8)17-18-43(57-41)21-32(46)28(5)37(55-43)29(6)36(51-10)30(7)39(47)48/h11-14,25-30,32-38,46,50H,15-23H2,1-10H3,(H,45,49)(H,47,48)/t25-,26-,27+,28+,29-,30?,32-,33+,34+,35-,36+,37-,38+,41-,42-,43+,44-/m0/s1</moldb-inchi> <moldb-inchikey>WPMVTTLNDMKOSG-HCYFNSCLSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">803.4819766</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM352486</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>(3r,4s)-4-[(2s,5r,7s,8r,9s)-7-hydroxy-2-[(2r,5s)-5-[(2r,3s,5r)-5-[(2s,3s,5r,6r)-6-hydroxy-3,5-dimethyl-6-[(4-methylphenyl)methylcarbamoyloxymethyl]oxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Toluenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0306843</sync-id> <structure-inchikey>WPMVTTLNDMKOSG-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000001040000000080000000000000001080000080000400010c0012000102000018000002000002500000000000040000000002008000000000000840000000100000000000000000000000000200208000210001002000000000001000000000000110000000404000000000200000000201000000000000000000001000000000484200000000080000800000a02000002000200000000000004000200008000400040000010080000800000104000000100001000000000000200000000000000400000010000000000000000000000000000020200002220000000001000011008008005000400400000004c0004000000000000000000008200008</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾Þ��9��>��€��`��`��`��`�� `��`��`��`��`�� `��`��`�� `��`�� `��`��`��`�� `��`��`��`��`��(��(��h�� `��`��`��`��`��`��`��(��(��(��h��`��@(��@h��@h��@(��@h��@h��`��`��`�� !(� " �#�#$��%��&��'��(� )��*�*+�+, ,-(�,. ./�/0�01h�12h�23h�34h�45h�36��7��8��50h�B�� 123450��</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:54:24Z</structure-indexed-at> </compound>