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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013816

(5S)-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one

Formula: C19H32O8  |  Mol. Weight: 388.50 g/mol

IUPAC: (5S)-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one

Overview

Molecular Formula C19H32O8
Molecular Weight 388.50 g/mol
Canonical SMILES CC1=C(C(C(CC1=O)OC2C(C(C(C(O2)CO)O)O)O)(C)C)CCC(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy