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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025840

[(1R,2S,4R,5S,6R,10R)-6-hydroxy-2-methyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

Formula: C25H36O12  |  Mol. Weight: 528.50 g/mol

IUPAC: [(1R,2S,4R,5S,6R,10R)-6-hydroxy-2-methyl-10-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoate

Overview

Molecular Formula C25H36O12
Molecular Weight 528.50 g/mol
Canonical SMILES CC(=CCCC(C)(C=C)O)C(=O)OC1C2C(O2)(C3C1(C=COC3OC4C(C(C(C(O4)CO)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy