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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020181

[(1S,2R,3S,4R,5R,6S)-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]-3-(2-methylpropoxy)cyclohexyl] (Z)-2-methylbut-2-enoate

Formula: C25H38O9  |  Mol. Weight: 482.60 g/mol

IUPAC: [(1S,2R,3S,4R,5R,6S)-2,5-dihydroxy-4,6-bis[[(Z)-2-methylbut-2-enoyl]oxy]-3-(2-methylpropoxy)cyclohexyl] (Z)-2-methylbut-2-enoate

Overview

Molecular Formula C25H38O9
Molecular Weight 482.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(C(C(C1OC(=O)C(=CC)C)O)OC(=O)C(=CC)C)OCC(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy