(1S,5S,6S)-5-Hydroxy-4-[(1R)-1-Hydroxy-3-Methyl-2-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
[CAS# 528856-42-0]

Identification

• Name: (1S,5S,6S)-5-Hydroxy-4-[(1R)-1-Hydroxy-3-Methyl-2-Buten-1-Yl]-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
• Synonyms: (1S,5S,6S)-5-hydroxy-4-((R)-1-hydroxy-3-methylbut-2-en-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23
• CAS Registry Number: 528856-42-0
• SMILES: CC(=C[C@H](C1=CC(=O)[C@@H]2[C@H]([C@H]1O)O2)O)C
• InChI: 1S/C11H14O4/c1-5(2)3-7(12)6-4-8(13)10-11(15-10)9(6)14/h3-4,7,9-12,14H,1-2H3/t7-,9+,10-,11+/m1/s1
• InChIKey: FKBSMSKPZQKQSJ-DQDDRIPDSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 437.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 176.2±22.2°C (Cal.)
• Refractive index: 1.593 (Cal.)