(3α,5β,7α,12α,20R)-3,7,12-Trihydroxycholan-24-oic acid - 1,1'-disulfanediyldibenzene (2:1)

More details:

• Systematic name

  (3alpha,5beta,7alpha,12alpha,20R)-3,7,12-Trihydroxycholan-24-oic acid - 1,1'-disulfanediyldibenzene (2:1)

• SMILES

  C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.c1ccc(cc1)SSc2ccccc2

• Std. InChi

  InChI=1S/2C24H40O5.C12H10S2/c2*1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h2*13-20,22,25-27H,4-12H2,1-3H3,(H,28,29);1-10H/t2*13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m11./s1

• Std. InChIKey

  DRHFZUKDFGADPY-XZPRSJKYSA-N

• Cite this record

  CSID:30651892, http://www.chemspider.com/Chemical-Structure.30651892.html (accessed 20:30, May 12, 2024)