(3β,18α)-24,29-Dihydroxy-11,29-dioxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,18alpha)-24,29-Dihydroxy-11,29-dioxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid

• SMILES

  C[C@@]12CC[C@@]3(C)CC[C@](C)(C[C@@H]3C1=CC(=O)[C@H]1[C@@]2(C)CC[C@H]2[C@@](C)(CO)[C@H](CC[C@@]21C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(O)=O)C(O)=O

• Std. InChi

  InChI=1S/C42H62O17/c1-37-11-12-38(2,36(54)55)16-19(37)18-15-20(44)31-39(3)9-8-22(40(4,17-43)21(39)7-10-42(31,6)41(18,5)14-13-37)56-35-30(26(48)25(47)29(58-35)33(52)53)59-34-27(49)23(45)24(46)28(57-34)32(50)51/h15,19,21-31,34-35,43,45-49H,7-14,16-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35-,37-,38-,39+,40-,41-,42-/m1/s1

• Std. InChIKey

  WBQVRPYEEYUEBQ-YUTNFQAFSA-N

• Cite this record

  CSID:98651723, http://www.chemspider.com/Chemical-Structure.98651723.html (accessed 03:23, Apr 19, 2024)