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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003805

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

Formula: C26H40O10  |  Mol. Weight: 512.60 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxyoxan-2-yl]methyl (4R)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate

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Overview

Molecular Formula C26H40O10
Molecular Weight 512.60 g/mol
Canonical SMILES CC(=CCCC(C)(C=C)O)C(=O)OC1C(C(C(C(O1)COC(=O)C2=CCC(CC2)C(C)(C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy