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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015990

(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3R,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Formula: C30H44O5  |  Mol. Weight: 484.70 g/mol

IUPAC: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(1S)-1-[(1S,3R,5R)-1,5,6,6-tetramethyl-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Overview

Molecular Formula C30H44O5
Molecular Weight 484.70 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2C(CC4=CC(=O)C=CC34C)O)C)C5CC6(C(OC(O5)(O6)C)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy