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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014939

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(3S,6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Formula: C16H28O10S  |  Mol. Weight: 412.50 g/mol

IUPAC: [(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[(3S,6E)-8-hydroxy-3,7-dimethylocta-1,6-dien-3-yl]oxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate

Overview

Molecular Formula C16H28O10S
Molecular Weight 412.50 g/mol
Canonical SMILES CC(=CCCC(C)(C=C)OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy