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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022370

(1R,6R)-6-[(3R)-3-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[a]naphthalen-3-yl]butanoyl]-1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

Formula: C40H60O5  |  Mol. Weight: 620.90 g/mol

IUPAC: (1R,6R)-6-[(3R)-3-[(3R,3aR,5aS,6S,7S,9bR)-6-(2-carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,5,5a,7,8-octahydrocyclopenta[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 C40H60O5
Molecular Weight 620.90 g/mol
Canonical SMILES CC(CC(=O)C1CC=C(CC1(C)C(=O)O)CCC=C(C)C)C2CCC3(C2(CCC4C3=CCC(C4(C)CCC(=O)O)C(=C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy