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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011808

[(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate

Formula: C30H38O8  |  Mol. Weight: 526.60 g/mol

IUPAC: [(3S,8S,9S,10R,11S,12S,13S,14R,17S)-17-acetyl-11-acetyloxy-3,8,14-trihydroxy-10,13-dimethyl-2,3,4,7,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] benzoate

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Overview

Molecular Formula C30H38O8
Molecular Weight 526.60 g/mol
Canonical SMILES CC(=O)C1CCC2(C1(C(C(C3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C)OC(=O)C5=CC=CC=C5)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy