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

More details:

• Systematic name

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

• SMILES

  O=S(=O)(O)O.O=C(OC)[C@]4(c2c(c1ccccc1n2)CCN3C[C@](O)(CC)CC(C3)C4)c5c(OC)cc6c(c5)[C@@]89[C@@H](N6C)[C@@](O)(C(=O)OC)[C@H](OC(=O)C)[C@@]7(/C=C\CN([C@@H]78)CC9)CC

• 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-FCIBFBFCSA-N

• Cite this record

  CSID:8138509, http://www.chemspider.com/Chemical-Structure.8138509.html (accessed 17:45, May 23, 2024)