(3α,5β,6α)-6-[(2-Acetamido-2-deoxy-β-D-glucopyranosyl)oxy]-3-hydroxycholan-24-oic acid

More details:

• Systematic name

  (3alpha,5beta,6alpha)-6-[(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-3-hydroxycholan-24-oic acid

• SMILES

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

• Std. InChi

  InChI=1S/C32H53NO9/c1-16(5-8-26(37)38)20-6-7-21-19-14-24(41-30-27(33-17(2)35)29(40)28(39)25(15-34)42-30)23-13-18(36)9-11-32(23,4)22(19)10-12-31(20,21)3/h16,18-25,27-30,34,36,39-40H,5-15H2,1-4H3,(H,33,35)(H,37,38)/t16-,18-,19+,20-,21+,22+,23+,24+,25-,27-,28-,29-,30-,31-,32-/m1/s1

• Std. InChIKey

  DVVIFSTZYDJYHN-BTILXYSGSA-N

• Cite this record

  CSID:8546729, http://www.chemspider.com/Chemical-Structure.8546729.html (accessed 11:25, Apr 28, 2024)