(3β,5α,20S)-3,21-Dihydroxypregnan-20-yl β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5alpha,20S)-3,21-Dihydroxypregnan-20-yl beta-D-glucopyranosiduronic acid

• SMILES

  O=C(O)[C@H]5O[C@@H](O[C@H](CO)[C@H]3CC[C@H]2[C@@H]4CC[C@H]1C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C)[C@H](O)[C@@H](O)[C@@H]5O

• Std. InChi

  InChI=1S/C27H44O9/c1-26-9-7-14(29)11-13(26)3-4-15-16-5-6-18(27(16,2)10-8-17(15)26)19(12-28)35-25-22(32)20(30)21(31)23(36-25)24(33)34/h13-23,25,28-32H,3-12H2,1-2H3,(H,33,34)/t13-,14-,15-,16-,17-,18+,19+,20-,21-,22+,23-,25+,26-,27-/m0/s1

• Std. InChIKey

  KFHSTXBATVUXHT-LEISRMDPSA-N

• Cite this record

  CSID:8068301, http://www.chemspider.com/Chemical-Structure.8068301.html (accessed 19:57, Dec 11, 2023)