(3α,5α,20S)-20-Hydroxy(17,20,21,21,21-²H₅)pregnan-3-yl β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3alpha,5alpha,20S)-20-Hydroxy(17,20,21,21,21-~2~H_5_)pregnan-3-yl beta-D-glucopyranosiduronic acid

• SMILES

  [2H]C([2H])([2H])[C@]([2H])(O)[C@@]1([2H])CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

• Std. InChi

  InChI=1S/C27H44O8/c1-13(28)17-6-7-18-16-5-4-14-12-15(8-10-26(14,2)19(16)9-11-27(17,18)3)34-25-22(31)20(29)21(30)23(35-25)24(32)33/h13-23,25,28-31H,4-12H2,1-3H3,(H,32,33)/t13-,14-,15+,16-,17+,18-,19-,20-,21-,22+,23-,25+,26-,27+/m0/s1/i1D3,13D,17D

• Std. InChIKey

  ZFFFJLDTCLJDHL-LYQWEZGSSA-N

• Cite this record

  CSID:128919485, http://www.chemspider.com/Chemical-Structure.128919485.html (accessed 02:49, May 6, 2024)