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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022351

(1R,6R)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

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

IUPAC: (1R,6R)-6-[(3R)-3-[(3S,3aS,5aS,6R,7S)-6-(2-carboxyethyl)-3,3a,6-trimethyl-7-prop-1-en-2-yl-1,2,4,5,5a,7-hexahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(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=C(CC1(C)C(=O)O)CCC=C(C)C)C2(CCC3=C4C=CC(C(C4CCC32C)(C)CCC(=O)O)C(=C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy