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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022369

(1R,6R)-6-[(3R)-3-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

Formula: C40H58O5  |  Mol. Weight: 618.90 g/mol

IUPAC: (1R,6R)-6-[(3R)-3-[(1'S,3R,6S,7S,7aS)-7-(2-carboxyethyl)-1',7-dimethyl-3'-methylidene-6-prop-1-en-2-ylspiro[2,5,6,7a-tetrahydro-1H-indene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

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Overview

Molecular Formula C40H58O5
Molecular Weight 618.90 g/mol
Canonical SMILES CC(CC(=O)C1CC(=CCC1(C)C(=O)O)CCC=C(C)C)C2(CCC(=C)C23CCC4C3=CCC(C4(C)CCC(=O)O)C(=C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy