Bietaserpine
[CAS# 53-18-9]

Identification

• Name: Bietaserpine
• Synonyms: 3-Beta,20-Alpha-Yohimban-16-Beta-Carboxylic Acid, 1-(2-(Diethylamino)Ethyl)-18-Beta-Hydroxy-11,17-Alpha-Dimethoxy-, Methyl Ester, 3,4,5-Trimethoxybenzoate (Ester); Bietaserpina [Inn-Spanish]; Bietaserpine
• Molecular Formula: C₃₉H₅₃N₃O₉
• Molecular Weight: 707.86
• CAS Registry Number: 53-18-9
• EINECS: 200-165-0
• SMILES: [C@@H]26C([C@H]([C@H](OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C[C@@H]2CN5[C@@H](C4=C(C3=CC=C(C=C3[N]4CCN(CC)CC)OC)CC5)C6)OC)C(=O)OC
• InChI: 1S/C39H53N3O9/c1-9-40(10-2)15-16-42-29-20-25(45-3)11-12-26(29)27-13-14-41-22-24-19-33(37(49-7)34(39(44)50-8)28(24)21-30(41)35(27)42)51-38(43)23-17-31(46-4)36(48-6)32(18-23)47-5/h11-12,17-18,20,24,28,30,33-34,37H,9-10,13-16,19,21-22H2,1-8H3/t24-,28+,30-,33-,34?,37+/m1/s1
• InChIKey: WFTSRDISOMSAQC-CYMJSXLZSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 752.592°C at 760 mmHg (Cal.)
• Flash point: 408.953°C (Cal.)