Hop-17(21)-En-3-One
[CAS# 471-61-4]

Identification

• Name: Hop-17(21)-En-3-One
• Synonyms: hop-17(21)-en-3-one
• Molecular Formula: C₃₀H₄₈O
• Molecular Weight: 424.70
• CAS Registry Number: 471-61-4
• SMILES: CC(C)C=5CC[C@@]4(C)C=5CC[C@]2(C)[C@@H]4CC[C@@H]1[C@@]3(C)CCC(=O)[C@@](C)(C)[C@@H]3CC[C@]12C
• InChI: 1S/C30H48O/c1-19(2)20-11-15-27(5)21(20)12-17-29(7)23(27)9-10-24-28(6)16-14-25(31)26(3,4)22(28)13-18-30(24,29)8/h19,22-24H,9-18H2,1-8H3/t22-,23+,24+,27-,28-,29+,30+/m0/s1
• InChIKey: QIPITLICOVJMDG-KCFNGDSUSA-N

Properties

• Density: 1.012g/cm³ (Cal.)
• Boiling point: 489.534°C at 760 mmHg (Cal.)
• Flash point: 203.41°C (Cal.)