(1R,6alpha)-4,5alpha-Dihydroxy-3-Methyl-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
[CAS# 18746-82-2]

Identification

• Name: (1R,6alpha)-4,5alpha-Dihydroxy-3-Methyl-7-Oxabicyclo[4.1.0]Hept-3-En-2-One
• Synonyms: 7-Oxabicyclo(4.1.0)Hept-3-En-2-One, 4,5-Dihydroxy-3-Methyl-, (1S-(1-Alpha,5-Beta,6-Alpha))-; Terremutin; 7-Oxabicyclo(4.1.0)Hept-3-En-2-One, 4,5-Dihydroxy-3-Methyl-
• Molecular Formula: C₇H₈O₄
• Molecular Weight: 156.14
• CAS Registry Number: 18746-82-2
• SMILES: [C@@H]12O[C@@H]1C(=C(C(=O)[C@H]2O)C)O
• InChI: 1S/C7H8O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h5-7,9-10H,1H3/t5-,6-,7+/m1/s1
• InChIKey: KYFJQTVEGISKST-QYNIQEEDSA-N

Properties

• Density: 1.626g/cm³ (Cal.)
• Boiling point: 373.695°C at 760 mmHg (Cal.)
• Flash point: 164.458°C (Cal.)