16,28-Secosolanida-5,22(28)-Diene-3beta,16alpha-Diol
[CAS# 29271-49-6]

Identification

• Name: 16,28-Secosolanida-5,22(28)-Diene-3beta,16alpha-Diol
• Synonyms: 16,28-Secosolanida-5,22(28)-Diene-3,16-Diol, (3Beta,16Alpha)-; Etiolin
• Molecular Formula: C₂₇H₄₃NO₂
• Molecular Weight: 413.64
• CAS Registry Number: 29271-49-6
• SMILES: [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3(C([C@H](O)C4)[C@@H](C5=NC[C@H](CC5)C)C)C
• InChI: 1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,24+,25?,26-,27-/m0/s1
• InChIKey: JMSRDKIFVZVAMX-SSTACDENSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 544.48°C at 760 mmHg (Cal.)
• Flash point: 367.413°C (Cal.)