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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021971

(4S,5R)-4-hydroxy-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one

Formula: C19H32O9  |  Mol. Weight: 404.50 g/mol

IUPAC: (4S,5R)-4-hydroxy-4-[(E,3R)-4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]-3,3,5-trimethylcyclohexan-1-one

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Overview

Molecular Formula C19H32O9
Molecular Weight 404.50 g/mol
Canonical SMILES CC1CC(=O)CC(C1(C=CC(CO)OC2C(C(C(C(O2)CO)O)O)O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy