Demissine
[CAS# 6077-69-6]

Identification

• Name: Demissine
• Synonyms: Demissine
• Molecular Formula: C₅₀H₈₃NO₂₀
• Molecular Weight: 1018.20
• CAS Registry Number: 6077-69-6
• SMILES: [C@]78([C@H]([C@H]1[C@@H]([C@@]6([C@@H](CC1)C[C@@H](O[C@@H]5O[C@@H]([C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)CO)[C@H](O)[C@H]5O)CO)CC6)C)CC7)C[C@@H]9N%10[C@H]([C@H]([C@H]89)C)CC[C@@H](C%10)C)C
• InChI: 1S/C50H83NO20/c1-20-5-8-27-21(2)33-28(51(27)15-20)14-26-24-7-6-22-13-23(9-11-49(22,3)25(24)10-12-50(26,33)4)65-46-41(63)38(60)42(32(18-54)68-46)69-48-44(71-47-40(62)37(59)35(57)30(16-52)66-47)43(36(58)31(17-53)67-48)70-45-39(61)34(56)29(55)19-64-45/h20-48,52-63H,5-19H2,1-4H3/t20-,21+,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40+,41+,42-,43-,44+,45-,46+,47-,48-,49-,50-/m0/s1
• InChIKey: KWRYHKRVKRBBBU-RDQTZTQHSA-N

Properties

• Density: 1.477g/cm³ (Cal.)