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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034491

(1S,6S)-6-[(3R)-3-[(1'S,3R,5aR,7S,9aS)-7-hydroxy-1',6,6,9a-tetramethyl-3'-methylidenespiro[1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalene-3,2'-cyclopentane]-1'-yl]butanoyl]-1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid

Formula: C40H60O4  |  Mol. Weight: 604.90 g/mol

IUPAC: (1S,6S)-6-[(3R)-3-[(1'S,3R,5aR,7S,9aS)-7-hydroxy-1',6,6,9a-tetramethyl-3'-methylidenespiro[1,2,4,5,5a,7,8,9-octahydrocyclopenta[a]naphthalene-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 C40H60O4
Molecular Weight 604.90 g/mol
Canonical SMILES CC(CC(=O)C1CC(=CCC1(C)C(=O)O)CCC=C(C)C)C2(CCC(=C)C23CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy