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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012793

(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Formula: C29H50O3  |  Mol. Weight: 446.70 g/mol

IUPAC: (3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2S,3R,5R)-3-hydroxy-5,6-dimethylheptan-2-yl]-7-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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Overview

Molecular Formula C29H50O3
Molecular Weight 446.70 g/mol
Canonical SMILES CC(C)C(C)CC(C(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)OC)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy