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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025497

[(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-3,5,6,8,14,17-hexahydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate

Formula: C32H44O9  |  Mol. Weight: 572.70 g/mol

IUPAC: [(3S,5R,6R,8S,9R,10R,12R,13R,14R,17S)-3,5,6,8,14,17-hexahydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-12-yl] (2E,4E)-5-phenylpenta-2,4-dienoate

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Overview

Molecular Formula C32H44O9
Molecular Weight 572.70 g/mol
Canonical SMILES CC(C1(CCC2(C1(C(CC3C2(CC(C4(C3(CCC(C4)O)C)O)O)O)OC(=O)C=CC=CC5=CC=CC=C5)C)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy