45747 <common-name>tert-butyl {(1S,3S)-3-{(S)- hydroxy[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}-4-methyl-1-[ (2S,4S)-5-oxo-4-(propan-2-yl)tetrahydrofuran-2-yl ]pentyl}carbamate</common-name> <description nil="true"/> <cas>934841-33-5</cas> <pubchem-id nil="true"/> <chemical-formula>C30H49NO8</chemical-formula> <weight nil="true"/> <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">2016-06-03T12:26:38Z</created-at> <updated-at type="dateTime">2026-03-26T20:24:26Z</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>[H][C@@](O)(C1=CC(OCCCOC)=C(OC)C=C1)[C@@]([H])(C[C@]([H])(N=C(O)OC(C)(C)C)[C@]1([H])C[C@@]([H])(C(C)C)C(=O)O1)C(C)C</moldb-smiles> <moldb-formula>C30H49NO8</moldb-formula> <moldb-inchi>InChI=1S/C30H49NO8/c1-18(2)21(27(32)20-11-12-24(36-9)26(15-20)37-14-10-13-35-8)16-23(31-29(34)39-30(5,6)7)25-17-22(19(3)4)28(33)38-25/h11-12,15,18-19,21-23,25,27,32H,10,13-14,16-17H2,1-9H3,(H,31,34)/t21-,22-,23-,25-,27+/m0/s1</moldb-inchi> <moldb-inchikey>LNEJMHYXEHINSY-KAXXXCGQSA-N</moldb-inchikey> <moldb-average-mass type="decimal">551.721</moldb-average-mass> <moldb-mono-mass type="decimal">551.345817542</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23353684</chemspider-id> <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>CHEM044642</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006620</stoff-ident-id> <susdat-id>NS00002570</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>116.04000000000002</moldb-polar-surface-area> <moldb-refractivity>149.52759999999998</moldb-refractivity> <moldb-polarizability>62.49495410977856</moldb-polarizability> <moldb-rotatable-bond-count>16</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>4.058681609190964</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>1.263749196539936</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>4.61</moldb-alogps-logp> <moldb-alogps-logs>-5.15</moldb-alogps-logs> <moldb-alogps-solubility>3.94e-03 g/l</moldb-alogps-solubility> </compound>