(1S,3R,7R,8E,10R)-7-Hydroxy-3-Methyl-4,11-Dioxabicyclo[8.1.0]Undec-8-En-5-One
[CAS# 127393-90-2]

Identification

• Name: (1S,3R,7R,8E,10R)-7-Hydroxy-3-Methyl-4,11-Dioxabicyclo[8.1.0]Undec-8-En-5-One
• Synonyms: Botryolides B; Decarestrictine A1; SM-140-A1, Botryolide B, (8E)-7-Hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
• Molecular Formula: C₁₀H₁₄O₄
• Molecular Weight: 198.22
• CAS Registry Number: 127393-90-2
• SMILES: C[C@@H]1C[C@H]2[C@H](O2)/C=C/[C@@H](CC(=O)O1)O
• InChI: 1S/C10H14O4/c1-6-4-9-8(14-9)3-2-7(11)5-10(12)13-6/h2-3,6-9,11H,4-5H2,1H3/b3-2+/t6-,7+,8-,9+/m1/s1
• InChIKey: JCWPVPJYCLLPQL-SCKAFXQUSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 398.4±42.0°C at 760 mmHg (Cal.)
• Flash point: 161.7±21.4°C (Cal.)
• Refractive index: 1.503 (Cal.)