2-O-β-D-Glucopyranosyl-1-O-[(5β,8α,9β,10α,13α)-13-{[β-D-glucopyranosyl-(1->3)-[β-L-glucopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-18-oxo(17-¹³C,17,17-²H₂)kaur-16-en -18-yl]-β-D-glucopyranose

More details:

• Systematic name

  2-O-beta-D-Glucopyranosyl-1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->3)-[beta-L-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-18-oxo(17-~13~C,17,17-~2~H_2_)kaur-16-en -18-yl]-beta-D-glucopyranose

• SMILES

  [2H][13C]([2H])=C1C[C@@]23CC[C@@H]4[C@@](C)(CCC[C@@]4(C)[C@@H]2CC[C@@]1(C3)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

• 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/i1+1D2

• Std. InChIKey

  RPYRMTHVSUWHSV-QRUIFIROSA-N

• Cite this record

  CSID:107447531, http://www.chemspider.com/Chemical-Structure.107447531.html (accessed 00:46, Jun 15, 2024)