(3β,16β)-16-{[2-O-Acetyl-3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl β-D-glucopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-β-D-glucopyranos ide

More details:

• Systematic name

  (3beta,16beta)-16-{[2-O-Acetyl-3-O-(beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl]oxy}-17-hydroxy-22-oxocholest-5-en-3-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranos ide

• SMILES

  O=C(CCC(C)C)[C@@H](C)[C@]4(O)[C@@]5(C)CC[C@@H]1[C@@]9(C(=C/C[C@H]1[C@@H]5C[C@@H]4O[C@@H]3OC[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]3OC(=O)C)\C[C@@H](O[C@@H]8O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]8O)CC9)C

• Std. InChi

  InChI=1S/C57H92O28/c1-22(2)7-10-30(61)23(3)57(74)36(83-54-49(78-24(4)60)47(32(63)20-76-54)84-51-43(70)37(64)31(62)19-75-51)16-29-27-9-8-25-15-26(11-13-55(25,5)28(27)12-14-56(29,57)6)79-52-44(71)41(68)39(66)35(82-52)21-77-50-46(73)42(69)48(34(18-59)81-50)85-53-45(72)40(67)38(65)33(17-58)80-53/h8,22-23,26-29,31-54,58-59,62-74H,7,9-21H2,1-6H3/t23-,26+,27-,28+,29+,31-,32+,33-,34-,35-,36+,37+,38-,39-,40+,41+,42-,43-,44-,45-,46-,47+,48-,49-,50-,51+,52-,53+,54+,55+,56+,57-/m1/s1

• Std. InChIKey

  VTWQMZCZZYYWEF-NODDEWEMSA-N

• Cite this record

  CSID:9280338, http://www.chemspider.com/Chemical-Structure.9280338.html (accessed 09:56, Apr 18, 2024)