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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003658

(3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2R,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Formula: C31H52O6  |  Mol. Weight: 520.70 g/mol

IUPAC: (3R,5R,7R,8R,9R,10S,13S,17S)-17-[(2R,3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]-2-methoxyoxolan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Overview

Molecular Formula C31H52O6
Molecular Weight 520.70 g/mol
Canonical SMILES CC1(C(CCC2(C1CC(C3(C2CCC4(C3=CCC4C5CC(OC5OC)C(C(C)(C)O)O)C)C)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy