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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026980

[(2S,4aS,6aS,7R,10S,10aR,10bS)-2-(furan-3-yl)-4a,10-dihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

Formula: C34H42O14  |  Mol. Weight: 674.70 g/mol

IUPAC: [(2S,4aS,6aS,7R,10S,10aR,10bS)-2-(furan-3-yl)-4a,10-dihydroxy-10b-methyl-4-oxo-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-7-yl] (E)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

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Overview

Molecular Formula C34H42O14
Molecular Weight 674.70 g/mol
Canonical SMILES CC12CC(OC(=O)C1(CCC3C2C(CCC3OC(=O)C=CC4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)O)O)C6=COC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy