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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009230

[(1R,2R)-1-[(2S,3S,4R,5R)-3-ethyl-5-hydroxy-4-methyloxolan-2-yl]-2-hydroxy-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] acetate

Formula: C31H48O9  |  Mol. Weight: 564.70 g/mol

IUPAC: [(1R,2R)-1-[(2S,3S,4R,5R)-3-ethyl-5-hydroxy-4-methyloxolan-2-yl]-2-hydroxy-2-[(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propyl] acetate

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Overview

Molecular Formula C31H48O9
Molecular Weight 564.70 g/mol
Canonical SMILES CCC1C(C(OC1C(C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)O)OC(=O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy