alpha-Chaconine:alpha-Solaninemixture
[CAS# 88251-32-5]

Identification

• Name: alpha-Chaconine:alpha-Solaninemixture
• Synonyms: Solanine α; Prestwick_524; Prestwick0_000640
• Molecular Formula: C₄₅H₇₃NO₁₅
• Molecular Weight: 868.06
• CAS Registry Number: 88251-32-5
• SMILES: O[C@H]9[C@@H](O)C(O)[C@H](O[C@@H]8C[C@@](O[C@@H]4C/C3=C/C[C@H]2[C@@H]5C[C@@H]1N6[C@@H]([C@@H](C)[C@@H]1[C@@]5(C)CC[C@@H]2[C@@]3(C)CC4)CC[C@H](C)C6)(O[C@H]7OC(C)[C@H](O)[C@H](O)C7O)OC(CO)[C@@H]8O)OC9CO
• InChI: 1S/C45H73NO15/c1-20-6-9-28-21(2)33-29(46(28)17-20)15-27-25-8-7-23-14-24(10-12-43(23,4)26(25)11-13-44(27,33)5)59-45(61-42-40(55)37(52)34(49)22(3)56-42)16-30(35(50)32(19-48)60-45)57-41-39(54)38(53)36(51)31(18-47)58-41/h7,20-22,24-42,47-55H,6,8-19H2,1-5H3/t20-,21+,22?,24-,25+,26-,27-,28+,29-,30+,31?,32?,33-,34-,35+,36+,37-,38+,39?,40?,41+,42+,43-,44-,45-/m0/s1
• InChIKey: BWUMVFCXSYXUOV-AFIPUWLUSA-N

Properties

• Density: 1.412g/cm³ (Cal.)