(1'beta)-4'-deoxy-1',4'-epoxy-Vincaleukoblastine
[CAS# 78779-58-5]

Identification

• Name: (1'beta)-4'-deoxy-1',4'-epoxy-Vincaleukoblastine
• Synonyms: Nsc304422
• Molecular Formula: C₄₆H₅₆N₄O₉
• Molecular Weight: 808.97
• CAS Registry Number: 78779-58-5
• SMILES: [C@@]134[C@H]2N(CC1)CC=C[C@]2([C@@H](OC(=O)C)[C@@](O)([C@@H]3N(C5=CC(=C(C=C45)[C@]8(C6OC7(C[C@H]6CN(C7)CCC9=C8[NH]C%10=CC=CC=C9%10)CC)C(OC)=O)OC)C)C(OC)=O)CC
• InChI: 1S/C46H56N4O9/c1-8-42-23-27-24-49(25-42)19-15-29-28-13-10-11-14-32(28)47-35(29)45(36(27)59-42,40(52)56-6)31-21-30-33(22-34(31)55-5)48(4)38-44(30)17-20-50-18-12-16-43(9-2,37(44)50)39(58-26(3)51)46(38,54)41(53)57-7/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36?,37-,38+,39+,42?,43+,44+,45-,46-/m0/s1
• InChIKey: KMWVJRBQGMUMID-CIASJWMASA-N

Properties

• Density: 1.393g/cm³ (Cal.)