(3β,16β)-17-Hydroxy-22-oxo-16-{[3-O-(β-D-xylopyranosyl)-α-L-arabinopyranosyl]oxy}cholest-5-en-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside

More details:

• Systematic name

  (3beta,16beta)-17-Hydroxy-22-oxo-16-{[3-O-(beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl]oxy}cholest-5-en-3-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside

• SMILES

  O=C(CCC(C)C)[C@@H](C)[C@]4(O)[C@@]5(C)CC[C@@H]1[C@@]8(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]3O)\C[C@@H](O[C@@H]7O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]7O)CC8)C

• Std. InChi

  InChI=1S/C49H80O22/c1-20(2)6-9-27(51)21(3)49(63)32(70-45-41(62)42(29(53)18-65-45)71-44-38(59)33(54)28(52)17-64-44)15-26-24-8-7-22-14-23(10-12-47(22,4)25(24)11-13-48(26,49)5)67-46-40(61)37(58)35(56)31(69-46)19-66-43-39(60)36(57)34(55)30(16-50)68-43/h7,20-21,23-26,28-46,50,52-63H,6,8-19H2,1-5H3/t21-,23+,24-,25+,26+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47+,48+,49-/m1/s1

• Std. InChIKey

  YJLJMIRMAGBEMG-QPJFQOIMSA-N

• Cite this record

  CSID:9258771, http://www.chemspider.com/Chemical-Structure.9258771.html (accessed 22:12, Apr 19, 2024)