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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003220

(3R,4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexan-1-one

Formula: C13H22O4  |  Mol. Weight: 242.31 g/mol

IUPAC: (3R,4S,5R)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-3,5-dimethylcyclohexan-1-one

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Overview

Molecular Formula C13H22O4
Molecular Weight 242.31 g/mol
Canonical SMILES CC1CC(=O)CC(C1(C=CC(C)O)O)(C)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy