(1S)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-deoxy-1-[(2E)-4-ethoxy-2-methyl-4-oxo-2-buten-1-yl]-4-(2-hydroxyethyl)-D-ribitol
[CAS# 94926-27-9]

Identification

• Name: (1S)-1,5-Anhydro-2,3-O-1,1-cyclohexanediyl-4-deoxy-1-[(2E)-4-ethoxy-2-methyl-4-oxo-2-buten-1-yl]-4-(2-hydroxyethyl)-D-ribitol
• Synonyms: (E)-5,9-anhydro-6,7-O-cyclohexylidene-2,3,4,8-tetradeoxy-8-C-(ethoxycarbonyl); methyl-3-methyl-D-allo-non-2-enitol
• Molecular Formula: C₂₀H₃₂O₆
• Molecular Weight: 368.46
• CAS Registry Number: 94926-27-9
• SMILES: CCOC(=O)/C=C(\C)/C[C@H]1[C@H]2[C@@H](C(CO1)CCO)OC3(O2)CCCCC3
• InChI: 1S/C20H32O6/c1-3-23-17(22)12-14(2)11-16-19-18(15(7-10-21)13-24-16)25-20(26-19)8-5-4-6-9-20/h12,15-16,18-19,21H,3-11,13H2,1-2H3/b14-12+/t15?,16-,18+,19-/m0/s1
• InChIKey: OHMPDEIJLFPZCQ-RCCWLYHYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 500.009°C at 760 mmHg (Cal.)
• Flash point: 169.783°C (Cal.)