Solanocapsine
[CAS# 639-86-1]

Identification

• Name: Solanocapsine
• Synonyms: Nsc102622; Aids-012190; Aids012190
• Molecular Formula: C₂₇H₄₆N₂O₂
• Molecular Weight: 430.67
• CAS Registry Number: 639-86-1
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](N)C3)C)C[C@H]5O[C@@]6([C@@H]([C@H]([C@H]45)C)NC[C@H](C)C6)O)C
• InChI: 1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,27+/m1/s1
• InChIKey: ZPTJKUUQUDRHTL-QAQRTNARSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 545.8±35.0°C at 760 mmHg (Cal.)
• Flash point: 283.9±25.9°C (Cal.)