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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001211

[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-12-acetyloxy-3,14-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate

Formula: C25H38O7  |  Mol. Weight: 450.60 g/mol

IUPAC: [(3S,8R,9S,10R,11S,12S,13S,14S,17S)-12-acetyloxy-3,14-dihydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl] acetate

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Overview

Molecular Formula C25H38O7
Molecular Weight 450.60 g/mol
Canonical SMILES CC(C1CCC2(C1(C(C(C3C2CC=C4C3(CCC(C4)O)C)OC(=O)C)OC(=O)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy