1-O-[(8α,10α,13α)-13-{[β-D-Glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(8alpha,10alpha,13alpha)-13-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-19-oxokaur-16-en-19-yl]-beta-D-glucopyranose

• SMILES

  [H][C@@]12CC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C[C@@]2(CC[C@]7([H])[C@@]1(C)CCC[C@@]7(C)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)CC3=C C[C@@]12CCC[C@](C)([C@@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C43H68O22/c1-17-11-42-9-5-22-40(2,7-4-8-41(22,3)39(57)64-37-32(56)29(53)26(50)20(13-45)60-37)23(42)6-10-43(17,16-42)65-38-34(63-36-31(55)28(52)25(49)19(12-44)59-36)33(27(51)21(14-46)61-38)62-35-30(54)24(48)18(47)15-58-35/h18-38,44-56H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,40-,41-,42-,43+/m1/s1

• Std. InChIKey

  QRGRAFPOLJOGRV-ZAPTVLRXSA-N

• Cite this record

  CSID:73993231, http://www.chemspider.com/Chemical-Structure.73993231.html (accessed 04:20, May 1, 2024)