352870 <common-name>4-[[(3e,5e,9e,11e)-13-(3-carboxypropanoyloxy)-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl]oxy]-4-oxobutanoic acid</common-name> <description>4-[[(3e,5e,9e,11e)-13-(3-carboxypropanoyloxy)-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl]oxy]-4-oxobutanoic acid is a chemical compound with the formula C33H41NO13. With an average molecular weight of 659.70 g/mol, 4-[[(3e,5e,9e,11e)-13-(3-carboxypropanoyloxy)-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl]oxy]-4-oxobutanoic acid is a heavy molecule.</description> <cas>28477-81-8</cas> <pubchem-id>6444901</pubchem-id> <chemical-formula>C33H41NO13</chemical-formula> <weight>659.7</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">2026-08-31T19:25:16Z</created-at> <updated-at type="dateTime">2026-08-31T19:25:16Z</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>CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)OC(=O)CCC(=O)O)C)OC(=O)CCC(=O)O</moldb-smiles> <moldb-formula>C33H41NO13</moldb-formula> <moldb-inchi>InChI=1S/C33H41NO13/c1-18-6-9-22(45-28(40)14-12-26(36)37)10-8-19(2)16-25(34-31(43)21(4)35)33(5)30(42)20(3)24(47-32(33)44)17-23(11-7-18)46-29(41)15-13-27(38)39/h6-8,10-11,16,20,22-25H,9,12-15,17H2,1-5H3,(H,34,43)(H,36,37)(H,38,39)/b10-8+,11-7+,18-6+,19-16+</moldb-inchi> <moldb-inchikey>ZYJMGLJYPRFQOY-QUMYNZAVSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">659.2577904</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM348763</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>4-[[(3e,5e,9e,11e)-13-(3-carboxypropanoyloxy)-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-7-yl]oxy]-4-oxobutanoic 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>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Pentacarboxylic acids and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0303154</sync-id> <structure-inchikey>ZYJMGLJYPRFQOY-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000080000000000000000040000000000800000001000000000000010000002000000000000000001400000000004202000000000000000010000000100000000100020000000008002080000020010000000000000a000000000000010000000000000000000000000002020000000000000100080000500000000048000010000000000201000080000000000000200000000000810020010800040000000000400000092000000001100000000000000000000000000000004008000000000001000010050000000000000000002000400004000004000000001000020000000040000000000400050000000000000000000000000001</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ����������������/���0���€���`�������`�������`�������`�������`�������h��������h��������(�������h��������`�������`�������h��������h��������(�������h��������`������� ������(�������(�������(�������(�������(�������`�������h��������(�������(�������(�������(�������`�������`�������(�������(�������(�������`�������`�������(�������(�������h��������`�������(�������(�������(�������`�������`�������(�������(�������h������������������������(��� ��(�� � � ����(�� �(�������������������(��� �������� ��(��� ��(���� �� ���� � (��!�!"�"#�#$(�#% �&��'�'( ()(�(*�*+�+,�,-(�,. ������B������������������� �� ���������� �� ������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:50:34Z</structure-indexed-at> </compound>