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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002821

[(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Formula: C32H50O5  |  Mol. Weight: 514.70 g/mol

IUPAC: [(3S,5R,9R,10R,13S,14S,17S)-17-[(2S,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Overview

Molecular Formula C32H50O5
Molecular Weight 514.70 g/mol
Canonical SMILES CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3=CCC2C1(C)C)C)C5CC(OC5O)C6C(O6)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy