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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039313

(2R,3R,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid

Formula: C31H50O5  |  Mol. Weight: 502.70 g/mol

IUPAC: (2R,3R,6R)-6-[(3S,5R,10S,12R,13R,14S,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethyl-4-oxoheptanoic acid

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Overview

Molecular Formula C31H50O5
Molecular Weight 502.70 g/mol
Canonical SMILES CC(CC(=O)C(C)C(C)C(=O)O)C1CCC2(C1(C(CC3=C2CCC4C3(CCC(C4(C)C)O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy