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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008972

(3S,3aR,4aS,6aR,7R,9aS,9bS)-Decahydro-7-[(1R,4Z)-6-methoxy-1,5-dimethyl-6-oxo-4-hexen-1-yl]-6a,9a-dimethyl-3-(1-methylethenyl)-1H-cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid

Formula: C31H48O4  |  Mol. Weight: 484.70 g/mol

IUPAC: 3-[(1S,4R,5R,8S,9S,12S,13R)-5-[(Z,2R)-7-methoxy-6-methyl-7-oxohept-5-en-2-yl]-4,8-dimethyl-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 C31H48O4
Molecular Weight 484.70 g/mol
Canonical SMILES CC(CCC=C(C)C(=O)OC)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy