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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003189

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

Formula: C31H38O10  |  Mol. Weight: 570.60 g/mol

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

Overview

Molecular Formula C31H38O10
Molecular Weight 570.60 g/mol
Canonical SMILES CC(=O)OC1C(C2C(C(=O)C=CC2(C3C1(C4=CCC(C4(C(C3OC)OC(=O)C)C)C5=CC(=O)OC5=O)C)C)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy