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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036690

(E)-3-[(5R,7R,8R,9R,10R,13S,17S)-7-acetyloxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]but-2-enoic acid

Formula: C28H38O5  |  Mol. Weight: 454.60 g/mol

IUPAC: (E)-3-[(5R,7R,8R,9R,10R,13S,17S)-7-acetyloxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]but-2-enoic acid

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Overview

Molecular Formula C28H38O5
Molecular Weight 454.60 g/mol
Canonical SMILES CC(=CC(=O)O)C1CC=C2C1(CCC3C2(C(CC4C3(C=CC(=O)C4(C)C)C)OC(=O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy