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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003490

3-[(1S,4R,5R,7S,8S,9R,12S,13R)-7-acetyloxy-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid

Formula: C32H46O6  |  Mol. Weight: 526.70 g/mol

IUPAC: 3-[(1S,4R,5R,7S,8S,9R,12S,13R)-7-acetyloxy-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoic acid

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Overview

Molecular Formula C32H46O6
Molecular Weight 526.70 g/mol
Canonical SMILES CC1=CCC(OC1=O)C(C)C2CC(C3(C2(CCC45C3CCC(C4(C5)CCC(=O)O)C(=C)C)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy