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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026112

[(3R,5R,6R,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5,6,14-tetrahydroxy-10,13-dimethyl-1-oxo-2,3,4,6,7,8,9,11,12,15-decahydrocyclopenta[a]phenanthren-15-yl] acetate

Formula: C30H42O9  |  Mol. Weight: 546.60 g/mol

IUPAC: [(3R,5R,6R,8R,9S,10R,13R,14S,15S)-17-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-3,5,6,14-tetrahydroxy-10,13-dimethyl-1-oxo-2,3,4,6,7,8,9,11,12,15-decahydrocyclopenta[a]phenanthren-15-yl] acetate

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Overview

Molecular Formula C30H42O9
Molecular Weight 546.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2=CC(C3(C2(CCC4C3CC(C5(C4(C(=O)CC(C5)O)C)O)O)C)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy