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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002838

[5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-8-hydroxy-2,6-dimethyloct-6-enoate

Formula: C26H38O12  |  Mol. Weight: 542.60 g/mol

IUPAC: [5-ethenyl-1-oxo-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl] (E)-8-hydroxy-2,6-dimethyloct-6-enoate

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Overview

Molecular Formula C26H38O12
Molecular Weight 542.60 g/mol
Canonical SMILES CC(CCCC(=CCO)C)C(=O)OC1CC2C(C(OC=C2C(=O)O1)OC3C(C(C(C(O3)CO)O)O)O)C=C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy