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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001426

(1S,3R,5S,7S)-5-benzoyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-(3,3-dimethyloxiran-2-yl)-6,6-dimethyl-1-(3-methylbut-2-enyl)adamantane-2,4,9-trione

Formula: C38H48O5  |  Mol. Weight: 584.80 g/mol

IUPAC: (1S,3R,5S,7S)-5-benzoyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-(3,3-dimethyloxiran-2-yl)-6,6-dimethyl-1-(3-methylbut-2-enyl)adamantane-2,4,9-trione

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Overview

Molecular Formula C38H48O5
Molecular Weight 584.80 g/mol
Canonical SMILES CC(=CCCC(=CCC12CC3C(C(C1=O)(C(=O)C(C2=O)(C3(C)C)C(=O)C4=CC=CC=C4)CC=C(C)C)C5C(O5)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy