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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002764

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

Formula: C32H48O6  |  Mol. Weight: 528.70 g/mol

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

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Overview

Molecular Formula C32H48O6
Molecular Weight 528.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C5CC(C(OC5)C(C)(C)O)O)C)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy