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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008919

(Z)-5-[(5R,6S,7S,8R,9R,10R,13S,17S)-6-acetyloxy-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hex-4-enoic acid

Formula: C30H42O6  |  Mol. Weight: 498.60 g/mol

IUPAC: (Z)-5-[(5R,6S,7S,8R,9R,10R,13S,17S)-6-acetyloxy-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hex-4-enoic acid

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Overview

Molecular Formula C30H42O6
Molecular Weight 498.60 g/mol
Canonical SMILES CC(=CCCC(=O)O)C1CC=C2C1(CCC3C2(C(C(C4C3(C=CC(=O)C4(C)C)C)OC(=O)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy