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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001691

3-[(3S,3aS,5aR,6R,7S)-3,3a,6-trimethyl-3-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

Formula: C30H40O4  |  Mol. Weight: 464.60 g/mol

IUPAC: 3-[(3S,3aS,5aR,6R,7S)-3,3a,6-trimethyl-3-[(1Z,2R)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-6-yl]propanoic acid

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Overview

Molecular Formula C30H40O4
Molecular Weight 464.60 g/mol
Canonical SMILES CC1=CC(=CC(C)C2(CCC3=C4C=CC(C(C4CCC32C)(C)CCC(=O)O)C(=C)C)C)OC1=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy