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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022350

(1R,3S,4R,5R,7S)-4-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione

Formula: C35H52O7  |  Mol. Weight: 584.80 g/mol

IUPAC: (1R,3S,4R,5R,7S)-4-[(E)-4-hydroperoxy-4-methylpent-2-enyl]-4-methyl-1,3,7-tris(3-methylbut-2-enyl)-5-(2-methylpropanoyl)-8-oxabicyclo[5.2.1]decane-6,9,10-trione

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Overview

Molecular Formula C35H52O7
Molecular Weight 584.80 g/mol
Canonical SMILES CC(C)C(=O)C1C(=O)C2(C(=O)C(CC(C1(C)CC=CC(C)(C)OO)CC=C(C)C)(C(=O)O2)CC=C(C)C)CC=C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy