Nummularogenin
[CAS# 94388-67-7]

Identification

• Name: Nummularogenin
• Synonyms: Nummularogenin; Spirostan-2,12-Dione, 3-Hydroxy-, (3Alpha,5Alpha,25S)-
• Molecular Formula: C₂₇H₄₀O₅
• Molecular Weight: 444.61
• CAS Registry Number: 94388-67-7
• SMILES: [C@H]1(C(C[C@]4([C@H](C1)CC[C@H]5[C@@H]3C[C@@H]2OC6([C@H]([C@@H]2[C@@]3(C)C(C[C@H]45)=O)C)OC[C@H](CC6)C)C)=O)O
• InChI: 1S/C27H40O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-20,22,24,28H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20-,22-,24-,25-,26+,27?/m0/s1
• InChIKey: SSJCBJPSMYGDDE-LUULUJCBSA-N

Properties

• Density: 1.208g/cm³ (Cal.)
• Boiling point: 582.57°C at 760 mmHg (Cal.)
• Flash point: 191.005°C (Cal.)