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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001997

[(5R,7R,8R,9R,10R,12S,13S,14S,17S)-12-hydroxy-17-[(3R)-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

Formula: C39H52O10  |  Mol. Weight: 680.80 g/mol

IUPAC: [(5R,7R,8R,9R,10R,12S,13S,14S,17S)-12-hydroxy-17-[(3R)-2-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl] (E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate

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Overview

Molecular Formula C39H52O10
Molecular Weight 680.80 g/mol
Canonical SMILES CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC2CC3C(C(=O)C=CC3(C4C2(C5CCC(C5(C(C4)O)C)C6CC(OC6O)CO)C)C)(C)C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy