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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001138

(5R,7R,8R,9R,10R,13S,17S)-17-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one

Formula: C30H46O5  |  Mol. Weight: 486.70 g/mol

IUPAC: (5R,7R,8R,9R,10R,13S,17S)-17-[(3S,5R)-5-[(2S)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-7-hydroxy-4,4,8,10,13-pentamethyl-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C30H46O5
Molecular Weight 486.70 g/mol
Canonical SMILES CC1(C2CC(C3(C(C2(CCC1=O)C)CCC4(C3=CCC4C5CC(OC5O)C6C(O6)(C)C)C)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy