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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018357

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

Formula: C29H38O8  |  Mol. Weight: 514.60 g/mol

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

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Overview

Molecular Formula C29H38O8
Molecular Weight 514.60 g/mol
Canonical SMILES CC(=CCO)CCC1C2(CCCC(C2C(C(C13CO3)OC(=O)C)OC(=O)C4=CC=CC=C4)(C)C(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy