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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015656

(3R,3aS)-3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one

Formula: C18H28O8  |  Mol. Weight: 372.40 g/mol

IUPAC: (3R,3aS)-3-[(3S)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3a,4,5,6-tetrahydro-3H-2-benzofuran-1-one

Overview

Molecular Formula C18H28O8
Molecular Weight 372.40 g/mol
Canonical SMILES CC(CCC1C2CCCC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy