(25beta)-16alpha,23-Epoxy-23-Methoxy-16,28-Seco-5alpha-Solanid-22(28)-En-3beta-Amine
[CAS# 59957-97-0]

Identification

• Name: (25beta)-16alpha,23-Epoxy-23-Methoxy-16,28-Seco-5alpha-Solanid-22(28)-En-3beta-Amine
• Synonyms: Solacasine
• Molecular Formula: C₂₈H₄₆N₂O₂
• Molecular Weight: 442.68
• CAS Registry Number: 59957-97-0
• SMILES: CC36C2C(OC1(OC)C(=NCC(C1)C)C2C)CC3C4C(C5(C(CC4)CC(N)CC5)C)CC6
• InChI: 1S/C28H46N2O2/c1-16-14-28(31-5)25(30-15-16)17(2)24-23(32-28)13-22-20-7-6-18-12-19(29)8-10-26(18,3)21(20)9-11-27(22,24)4/h16-24H,6-15,29H2,1-5H3
• InChIKey: YKFOODAHZUOWHM-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 528.358°C at 760 mmHg (Cal.)
• Flash point: 273.342°C (Cal.)