Methyl 4-O-Benzyl-3-Epishikimate
[CAS# 117661-93-5]

Identification

• Name: Methyl 4-O-Benzyl-3-Epishikimate
• Synonyms: (3S,4S,5R)-3,5-Dihydroxy-4-(Phenylmethoxy)-1-Cyclohexenecarboxylic Acid Methyl Ester; (3S,4S,5R)-4-(Benzyloxy)-3,5-Dihydroxy-Cyclohexene-1-Carboxylic Acid Methyl Ester; Mbesk
• Molecular Formula: C₁₅H₁₈O₅
• Molecular Weight: 278.30
• CAS Registry Number: 117661-93-5
• SMILES: [C@@H]2(OCC1=CC=CC=C1)[C@@H](O)C=C(C[C@H]2O)C(OC)=O
• InChI: 1S/C15H18O5/c1-19-15(18)11-7-12(16)14(13(17)8-11)20-9-10-5-3-2-4-6-10/h2-7,12-14,16-17H,8-9H2,1H3/t12-,13+,14+/m0/s1
• InChIKey: FHHTZLRWVKHZCD-BFHYXJOUSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 442.317°C at 760 mmHg (Cal.)
• Flash point: 163.508°C (Cal.)