N-[(3β,16α,17ξ)-16-Hydroxy-22-oxo-3-{[β-D-xylopyranosyl-(1->2)-6-deoxy-β-D-gulopyranosyl-(1->4)-β-D-glucopyranosyl]oxy}cholestan-27-yl]acetamide

More details:

• Systematic name

  N-[(3beta,16alpha,17xi)-16-Hydroxy-22-oxo-3-{[beta-D-xylopyranosyl-(1->2)-6-deoxy-beta-D-gulopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}cholestan-27-yl]acetamide

• SMILES

  O=C(NCC(C)CCC(=O)[C@@H](C)C7[C@H](O)C[C@@H]6[C@]7(C)CC[C@H]5[C@H]6CCC4[C@]5(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3O)C4)C

• Std. InChi

  InChI=1S/C46H77NO17/c1-20(17-47-23(4)49)7-10-29(50)21(2)33-30(51)16-28-26-9-8-24-15-25(11-13-45(24,5)27(26)12-14-46(28,33)6)61-43-39(58)37(56)40(32(18-48)62-43)63-44-41(36(55)34(53)22(3)60-44)64-42-38(57)35(54)31(52)19-59-42/h20-22,24-28,30-44,48,51-58H,7-19H2,1-6H3,(H,47,49)/t20?,21-,22-,24?,25+,26-,27+,28+,30-,31-,32-,33?,34+,35+,36-,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+/m1/s1

• Std. InChIKey

  MTFMWINXJJVOSD-JMOZXHOHSA-N

• Cite this record

  CSID:9150252, http://www.chemspider.com/Chemical-Structure.9150252.html (accessed 15:02, Apr 26, 2024)