Solanidine
[CAS# 80-78-4]

Identification

• Classification: Inorganic chemical industry >> Inorganic salt >> Metal sulfides and sulfates
• Name: Solanidine
• Synonyms: Chebi:28374; Solanid-5-En-3Beta-Ol; Ccris 6508
• Molecular Formula: C₂₇H₄₃NO
• Molecular Weight: 397.64
• CAS Registry Number: 80-78-4
• EINECS: 201-309-5
• SMILES: [C@@]12(C)[C@@H]5[C@H](C[C@H]1[C@H]3[C@H](CC2)[C@]4(C)C(=CC3)C[C@H](CC4)O)N6[C@@H]([C@H]5C)CC[C@@H](C6)C
• InChI: 1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
• InChIKey: JVKYZPBMZPJNAJ-OQFNDJACSA-N

Properties

• Density: 1.1g/cm³ (Cal.)
• Boiling point: 503.132°C at 760 mmHg (Cal.)
• Flash point: 223.467°C (Cal.)

References

• (1): Jacob Pollier, Tessa Moses and Alain Goossens. Combinatorial biosynthesis in plants: A (p)review on its potential and future exploitation, Nat. Prod. Rep., 2011, 28, 1897.