(3β,5α,6α,22S,23S)-6-(Sulfooxy)-22,23-epoxycholest-9(11)-en-3-yl β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5alpha,6alpha,22S,23S)-6-(Sulfooxy)-22,23-epoxycholest-9(11)-en-3-yl beta-D-glucopyranosiduronic acid

• SMILES

  O=S(=O)(O)O[C@H]6C[C@@H]3C(=C/C[C@]2(C)[C@@H]([C@H](C)[C@@H]1O[C@H]1CC(C)C)CC[C@H]23)\[C@@]5(C)CC[C@H](O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H]56

• Std. InChi

  InChI=1S/C33H52O12S/c1-15(2)12-24-28(43-24)16(3)19-6-7-20-18-14-23(45-46(39,40)41)22-13-17(8-10-33(22,5)21(18)9-11-32(19,20)4)42-31-27(36)25(34)26(35)29(44-31)30(37)38/h9,15-20,22-29,31,34-36H,6-8,10-14H2,1-5H3,(H,37,38)(H,39,40,41)/t16-,17-,18-,19+,20-,22+,23-,24-,25-,26-,27+,28-,29-,31+,32+,33+/m0/s1

• Std. InChIKey

  CDWQTHXFAOWZPF-MNNPVHNWSA-N

• Cite this record

  CSID:9017488, http://www.chemspider.com/Chemical-Structure.9017488.html (accessed 14:05, Jun 3, 2024)