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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002562

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

Formula: C28H42O7  |  Mol. Weight: 490.60 g/mol

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

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Overview

Molecular Formula C28H42O7
Molecular Weight 490.60 g/mol
Canonical SMILES CC(C)CC(=O)OC1C2C(CC=C3C2(CCC(C3)O)C)C4(CCC(C4(C1OC(=O)C)C)C(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy