2,3-Epoxysqualene
[CAS# 7200-26-2]

Identification

• Name: 2,3-Epoxysqualene
• Synonyms: 2,2-Dimethyl-3-(3,7,12,16,20-Pentamethylhenicosa-3,7,11,15,19-Pentaenyl)Oxirane; (S)-2,3-Epoxysqualene; (S)-Squalene-2,3-Epoxide
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 7200-26-2 (9029-62-3)
• SMILES: C(C1OC1(C)C)C/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)C)C)C)C
• InChI: 1S/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3/b25-15+,26-16+,27-20+,28-21+
• InChIKey: QYIMSPSDBYKPPY-BANQPHDMSA-N

Properties

• Density: 0.883g/cm³ (Cal.)
• Boiling point: 504.399°C at 760 mmHg (Cal.)
• Flash point: 245.596°C (Cal.)

References

• (1): Abe Ikuro. Enzymatic synthesis of cyclic triterpenes, Natural Product Reports, 2007