2-O-β-D-Glucopyranosyl-1-O-[(5ξ,8α,9ξ,10α,13α)-13-{[β-D-glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-β-D-glucopyranose

More details:

• Systematic name

  2-O-beta-D-Glucopyranosyl-1-O-[(5xi,8alpha,9xi,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-beta-D-glucopyranose

• SMILES

  O=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]3(C)CCC[C@]8(C)C3CC[C@]79C[C@](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]6O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CO)(\C(=C)C7)CCC89

• Std. InChi

  InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24?,25?,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1

• Std. InChIKey

  RPYRMTHVSUWHSV-ZSHSLFSMSA-N

• Cite this record

  CSID:9673889, http://www.chemspider.com/Chemical-Structure.9673889.html (accessed 14:58, Jun 1, 2024)