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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026107

[(5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14,17-trihydroxy-5-methoxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate

Formula: C31H44O9  |  Mol. Weight: 560.70 g/mol

IUPAC: [(5R,6R,8R,9S,10R,13R,14S,15S,17R)-17-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-6,14,17-trihydroxy-5-methoxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-15-yl] acetate

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Overview

Molecular Formula C31H44O9
Molecular Weight 560.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)C2(CC(C3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)OC)O)C)O)OC(=O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy