Lupan-3-one
[CAS# 3186-72-9]

Identification

• Name: Lupan-3-one
• Synonyms: LUP-3-ONE
• Molecular Formula: C₃₀H₅₀O
• Molecular Weight: 426.72
• CAS Registry Number: 3186-72-9
• SMILES: CC(C)[C@@H]4CC[C@]5(C)CC[C@]2(C)[C@H](CC[C@@H]1[C@@]3(C)CCC(=O)[C@@](C)(C)[C@@H]3CC[C@]12C)[C@@H]45
• 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/h19-23,25H,9-18H2,1-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
• InChIKey: HEYPZYMGRBQTOH-BHMAJAPKSA-N

Properties

• Density: 0.964g/cm³ (Cal.)
• Boiling point: 479.101°C at 760 mmHg (Cal.)
• Flash point: 235.01°C (Cal.)