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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000039

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

Formula: C28H48O4  |  Mol. Weight: 448.70 g/mol

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

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Overview

Molecular Formula C28H48O4
Molecular Weight 448.70 g/mol
Canonical SMILES CC(C)C(CCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C)(CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy