calcium ?-sitosteryl sulfate

More details:

• Systematic name

  Calcium bis[(3beta)-stigmast-5-en-3-yl sulfate]

• SMILES

  CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C)C(C)C.CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C)C)C(C)C.[Ca+2]

• Std. InChi

  InChI=1S/2C29H50O4S.Ca/c2*1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(33-34(30,31)32)14-16-28(22,5)27(24)15-17-29(25,26)6;/h2*10,19-21,23-27H,7-9,11-18H2,1-6H3,(H,30,31,32);/q;;+2/p-2/t2*20-,21-,23+,24+,25-,26+,27+,28+,29-;/m11./s1

• Std. InChIKey

  YTLHIRCTOCPCQH-WSYSVLTHSA-L

• Cite this record

  CSID:52084240, http://www.chemspider.com/Chemical-Structure.52084240.html (accessed 05:48, May 29, 2024)