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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013412

3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

Formula: C27H40O4  |  Mol. Weight: 428.60 g/mol

IUPAC: 3-[(1S,4aR,5S,6S,8aR)-5-[(2,5-dihydroxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid

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Overview

Molecular Formula C27H40O4
Molecular Weight 428.60 g/mol
Canonical SMILES CC1CCC2(C(C1(C)CC3=C(C(=CC(=C3)O)C)O)CCC(=C(C)C)C2CCC(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy