Lupeol
[CAS# 4439-99-0]

Identification

• Name: Lupeol
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 4439-99-0
• SMILES: [C@@]34([C@]2(C([C@@]1([C@H](C([C@H](O)CC1)(C)C)CC2)C)CC[C@@H]3C5[C@@](CC4)(CC[C@H]5C(=C)C)C)C)C
• InChI: 1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23?,24+,25?,27+,28-,29+,30+/m0/s1
• InChIKey: MQYXUWHLBZFQQO-PXGAZUHWSA-N

Properties

• Density: 0.978g/cm³ (Cal.)
• Boiling point: 488.112°C at 760 mmHg (Cal.)
• Flash point: 216.93°C (Cal.)