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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036501

3-Oxotirucalla-7,24-dien-21-oic acid

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

IUPAC: (2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enoic acid

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Overview

Molecular Formula C30H46O3
Molecular Weight 454.70 g/mol
Canonical SMILES CC(=CCCC(C1CCC2(C1(CCC3C2=CCC4C3(CCC(=O)C4(C)C)C)C)C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy