(22R,25R)-Spirosol-4-En-3-One
[CAS# 17094-86-9]

Identification

• Name: (22R,25R)-Spirosol-4-En-3-One
• Synonyms: Solasodenone
• Molecular Formula: C₂₇H₄₁NO₂
• Molecular Weight: 411.63
• CAS Registry Number: 17094-86-9
• SMILES: [C@]34([C@H]([C@@H]2CCC1=CC(CC[C@@]1([C@H]2CC3)C)=O)C[C@@H]5O[C@]6([C@H]([C@H]45)C)NC[C@@H](CC6)C)C
• InChI: 1S/C27H41NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h13,16-17,20-24,28H,5-12,14-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
• InChIKey: XCAKPWXDUSEAEH-CLGLNXEMSA-N

Properties

• Density: 1.121g/cm³ (Cal.)
• Boiling point: 541.265°C at 760 mmHg (Cal.)
• Flash point: 281.147°C (Cal.)