16-Hydroxylup-20(29)-En-3-One
[CAS# 43043-12-5]

Identification

• Name: 16-Hydroxylup-20(29)-En-3-One
• Molecular Formula: C₃₀H₄₈O₂
• Molecular Weight: 440.70
• CAS Registry Number: 43043-12-5
• SMILES: CC(=C)[C@@H]3CC[C@]4(C)C(O)C[C@@]2(C)[C@]5(C)CC[C@@H]1[C@](C)(CCC(=O)[C@@]1(C)C)[C@H]5CC[C@@H]2[C@@H]34
• InChI: 1S/C30H48O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22+,24?,25+,27-,28+,29+,30+/m0/s1
• InChIKey: SOKRNBGSNZXYIO-NABJUZCZSA-N

Properties

• Density: 1.018g/cm³ (Cal.)
• Boiling point: 515.972°C at 760 mmHg (Cal.)
• Flash point: 218.197°C (Cal.)