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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037305

(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Formula: C31H52O3  |  Mol. Weight: 472.70 g/mol

IUPAC: (3S,7S,8R,9S,10S,13R,14S,17R)-17-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

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Overview

Molecular Formula C31H52O3
Molecular Weight 472.70 g/mol
Canonical SMILES CC(CC=CC(C)(C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy