(1R,3S,5S,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.0^3,5]octadec-8-en-15-one
[CAS# 88643-48-5]

Identification

• Name: (1R,3S,5S,12R,13R)-12-Hydroxy-5,9,13-trimethyl-16-methylene-4,14-dioxatricyclo[11.3.2.0^3,5]octadec-8-en-15-one
• Synonyms: 11-EPI-SINULARIOLIDE; 4,14-Dioxatricyclo(11.3.2.O(3.5))octadec-8-en-15-one, 12-hydroxy-5,9,13-trimethyl-16-methylene-, (1R-(1R*,3S*,5S*,8E,12R*,13R*))-; SINULARIOLIDE
• Molecular Formula: C₂₀H₃₀O₄
• Molecular Weight: 334.45
• CAS Registry Number: 88643-48-5
• SMILES: O=C/1O[C@]2(C)CC[C@@H](C\1=C)C[C@@H]3O[C@]3(CC\C=C(/CC[C@H]2O)C)C
• InChI: 1S/C20H30O4/c1-13-6-5-10-20(4)17(23-20)12-15-9-11-19(3,16(21)8-7-13)24-18(22)14(15)2/h6,15-17,21H,2,5,7-12H2,1,3-4H3/b13-6+/t15-,16-,17+,19-,20+/m1/s1
• InChIKey: FONRUOAYELOHDC-LBBLXOBRSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 490.508°C at 760 mmHg (Cal.)
• Flash point: 169.32°C (Cal.)