(4'α,12α,18'β)-Vincaleukoblastine sulfate (1:1)

More details:

• Systematic name

  (4'alpha,12alpha,18'beta)-Vincaleukoblastine sulfate (1:1)

• SMILES

  CN1[C@H]2[C@@]3(CCN4CC=C[C@@](CC)([C@H]34)[C@H](OC(C)=O)[C@@]2(O)C(=O)OC)C2=CC(=C(C=C12)OC)[C@@]1(C[C@@H]2C[C@@](O)(CN(C2)CCC2=C1NC1=CC=CC=C21)CC)C(=O)OC.OS(O)(=O)=O

• Std. InChi

  InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m0./s1

• Std. InChIKey

  KDQAABAKXDWYSZ-KKBFZXJTSA-N

• Cite this record

  CSID:82964524, http://www.chemspider.com/Chemical-Structure.82964524.html (accessed 21:30, Jun 6, 2024)