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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007262

2-Butenoic acid, 2-methyl-, (2,5-dihydro-5-hydroxy-4-methyl-2-oxo-3-furanyl)(3-hydroxy-1,2-dimethyl-6-oxocyclohexyl)methyl ester, [1S-[1I+/-[1R*(Z),1(S*)],2I(2),3I(2)]]-

Formula: C19H26O7  |  Mol. Weight: 366.40 g/mol

IUPAC: [(S)-[(1S,2R,3S)-3-hydroxy-1,2-dimethyl-6-oxocyclohexyl]-[(2R)-2-hydroxy-3-methyl-5-oxo-2H-furan-4-yl]methyl] (Z)-2-methylbut-2-enoate

Overview

Molecular Formula C19H26O7
Molecular Weight 366.40 g/mol
Canonical SMILES CC=C(C)C(=O)OC(C1=C(C(OC1=O)O)C)C2(C(C(CCC2=O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy