(1R,2S,5R,6S)-3-[(1E)-3-Hydroxy-3-Methyl-1-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-Ene-2,5-Diol
[CAS# 528856-39-5]

Identification

• Name: (1R,2S,5R,6S)-3-[(1E)-3-Hydroxy-3-Methyl-1-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-Ene-2,5-Diol
• Synonyms: (1R,2S,5R,6S)-3-((E)-3-hydroxy-3-methylbut-1-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol; (1R,2S,5R,6S)-3-((E)-3-Hydroxy-3-methyl-but-1-enyl)-7-oxa-bicyclo[4.1.0]hept-3-ene-2,5-diol
• Molecular Formula: C₁₁H₁₆O₄
• Molecular Weight: 212.24
• CAS Registry Number: 528856-39-5
• SMILES: CC(C)(/C=C/C1=C[C@H]([C@H]2[C@@H]([C@H]1O)O2)O)O
• InChI: 1S/C11H16O4/c1-11(2,14)4-3-6-5-7(12)9-10(15-9)8(6)13/h3-5,7-10,12-14H,1-2H3/b4-3+/t7-,8+,9+,10-/m1/s1
• InChIKey: CCOPJWRKCOSTGB-QRSKOWNHSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 434.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 216.7±28.7°C (Cal.)
• Refractive index: 1.691 (Cal.)