(2ξ,2'β,3α,4α,5β,19β)-Vincaleukoblastine sulfate (1:1)

More details:

• Systematic name

  (2xi,2'beta,3alpha,4alpha,5beta,19beta)-Vincaleukoblastine sulfate (1:1)

• SMILES

  CC[C@@]1(C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N(C7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC)O.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+;/m1./s1

• Std. InChIKey

  KDQAABAKXDWYSZ-GUGVXXOWSA-N

• Cite this record

  CSID:2006314, http://www.chemspider.com/Chemical-Structure.2006314.html (accessed 18:38, May 23, 2024)