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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021955

(5R,9R,10R,13S,14S,17S)-17-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Formula: C30H46O3  |  Mol. Weight: 454.70 g/mol

IUPAC: (5R,9R,10R,13S,14S,17S)-17-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-oxobutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C30H46O3
Molecular Weight 454.70 g/mol
Canonical SMILES CC(CC(=O)C1C(O1)(C)C)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy