(22S,25R)-5alpha-Solanidan-3beta-Ol
[CAS# 11004-30-1]

Identification

• Name: (22S,25R)-5alpha-Solanidan-3beta-Ol
• Synonyms: (22S,25R)-5-Alpha-Solanidanine-3-Beta-Ol; (22S,25R)-5Alpha-Solanidan-3Beta-Ol; 5-Alpha-Solanidan-3-Beta-Ol, (22S,25R)-
• Molecular Formula: C₂₇H₄₅NO
• Molecular Weight: 399.66
• CAS Registry Number: 11004-30-1
• SMILES: [C@]36([C@@H]1[C@@H](N2[C@H]([C@H]1C)CC[C@H](C2)C)C[C@H]3[C@H]5[C@@H]([C@]4(CC[C@@H](C[C@@H]4CC5)O)C)CC6)C
• InChI: 1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17-,18+,19+,20-,21+,22+,23+,24+,25+,26+,27+/m1/s1
• InChIKey: JALVTHFTYRPDMB-IKSKCRHHSA-N

Properties

• Density: 1.084g/cm³ (Cal.)
• Boiling point: 493.15°C at 760 mmHg (Cal.)
• Flash point: 212.359°C (Cal.)