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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018356

(1S,4aR,5S,7S,8S,8aR)-7-acetyloxy-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

Formula: C29H38O7  |  Mol. Weight: 498.60 g/mol

IUPAC: (1S,4aR,5S,7S,8S,8aR)-7-acetyloxy-8-benzoyloxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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Overview

Molecular Formula C29H38O7
Molecular Weight 498.60 g/mol
Canonical SMILES CC(=CCO)CCC1C(=C)C(C(C2C1(CCCC2(C)C(=O)O)C)OC(=O)C3=CC=CC=C3)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy