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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005554

(1R,3R,5S,6R,7S)-3-[[(4aS,5R,8R,8aS)-5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione

Formula: C50H76O6  |  Mol. Weight: 773.10 g/mol

IUPAC: (1R,3R,5S,6R,7S)-3-[[(4aS,5R,8R,8aS)-5-hydroperoxy-5-methyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-3H-naphthalen-2-yl]methyl]-6-methyl-1,3,7-tris(3-methylbut-2-enyl)-6-(4-methylpent-3-enyl)-5-(2-methylpropanoyl)bicyclo[3.3.1]nonane-2,4,9-trione

Overview

Molecular Formula C50H76O6
Molecular Weight 773.10 g/mol
Canonical SMILES CC(C)C1CCC(C2C1C=C(CC2)CC3(C(=O)C4(CC(C(C(C4=O)(C3=O)C(=O)C(C)C)(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)(C)OO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy