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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027594

[(5R,7R,8R,9R,10S,11S,12R,13S,17R)-7-acetyloxy-12-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-hydroxy-2-methylpropanoate

Formula: C32H42O10  |  Mol. Weight: 586.70 g/mol

IUPAC: [(5R,7R,8R,9R,10S,11S,12R,13S,17R)-7-acetyloxy-12-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-11-yl] 2-hydroxy-2-methylpropanoate

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Overview

Molecular Formula C32H42O10
Molecular Weight 586.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(C(C3OC(=O)C(C)(C)O)O)C)C5=CC(OC5=O)O)C)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy