5β-Scymnol sulfate

More details:

• Systematic name

  (3alpha,5beta,7alpha,9xi,12alpha,24R)-3,7,12,24,26-Pentahydroxycholestan-27-yl hydrogen sulfate

• SMILES

  C[C@H](CC[C@H](C(CO)COS(=O)(=O)O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](CC3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

• Std. InChi

  InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/t15-,16?,17+,18-,19-,20+,21?,22-,23-,24+,25+,26+,27-/m1/s1

• Std. InChIKey

  JKUSPYUETNXNRO-JWBDLDPOSA-N

• Cite this record

  CSID:21865704, http://www.chemspider.com/Chemical-Structure.21865704.html (accessed 19:10, Apr 25, 2024)