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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012272

[(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] 3-methylbutanoate

Formula: C28H42O8  |  Mol. Weight: 506.60 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] 3-methylbutanoate

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Overview

Molecular Formula C28H42O8
Molecular Weight 506.60 g/mol
Canonical SMILES CC(C)CC(=O)OC1C(C2C3(CCC(CC3=CCC2(C4(C1(C(CC4)C(=O)C)C)O)O)O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy