Protoveratrine B
[CAS# 124-97-0]

Identification

• Classification: Pharmaceutical intermediate >> Heterocyclic compound intermediate >> Pyrimidine compound >> Urinary (urea) pyrimidine
• Name: Protoveratrine B
• Synonyms: C10816
• Molecular Formula: C₄₁H₆₃NO₁₅
• Molecular Weight: 809.95
• CAS Registry Number: 124-97-0
• EINECS: 204-719-2
• SMILES: [C@@]257[C@H]([C@@]1([C@H]([C@H](O)[C@H]4[C@H]([C@@H]1C2)CN3[C@@H](CC[C@@H](C3)C)[C@]4(O)C)OC(=O)[C@@H](CC)C)O)[C@@H]([C@H](OC(=O)C)[C@H]6[C@@]5(CC[C@@H]([C@]6(O7)O)OC([C@]([C@H](O)C)(O)C)=O)C)OC(=O)C
• InChI: 1S/C41H63NO15/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1
• InChIKey: BFLXOMFFVWQPAZ-WLZWUCNJSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 847.895°C at 760 mmHg (Cal.)
• Flash point: 466.59°C (Cal.)