Solacongestidine
[CAS# 984-82-7]

Identification

• Name: Solacongestidine
• Synonyms: (3Beta,5Alpha,25Beta)-16,28-Secosolanid-22(28)-En-3-Ol; 16,28-Secosolanid-22(28)-En-3-Ol, (3Beta,5Alpha,25Beta)-; Nci60_041933
• Molecular Formula: C₂₇H₄₅NO
• Molecular Weight: 399.66
• CAS Registry Number: 984-82-7
• SMILES: [C@]24([C@H]([C@@H]1CC[C@@H]3[C@@]([C@H]1CC2)(CC[C@H](O)C3)C)CC[C@@H]4[C@@H](C5=NC[C@@H](CC5)C)C)C
• InChI: 1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h17-24,29H,5-16H2,1-4H3/t17-,18+,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
• InChIKey: MSKAAWFUKWQOQS-YNAJWQGRSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 500.969°C at 760 mmHg (Cal.)
• Flash point: 334.091°C (Cal.)