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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019416

(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,4R,5S)-4,5,6-trihydroxy-4,5-dimethyloxan-2-yl]ethyl]-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

Formula: C28H42O6  |  Mol. Weight: 474.60 g/mol

IUPAC: (8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,4R,5S)-4,5,6-trihydroxy-4,5-dimethyloxan-2-yl]ethyl]-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one

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Overview

Molecular Formula C28H42O6
Molecular Weight 474.60 g/mol
Canonical SMILES CC(C1CC(C(C(O1)O)(C)O)(C)O)C2(CCC3C2(CCC4C3CC=C5C4(C(=O)C=CC5)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy