(3β)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta)-24,30-Dihydroxy-30-oxooleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid

• SMILES

  C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H]([C@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O

• Std. InChi

  InChI=1S/C42H62O16/c1-37-13-14-38(2,36(53)54)17-20(37)19-7-8-22-39(3)11-10-23(40(4,18-43)21(39)9-12-42(22,6)41(19,5)16-15-37)55-35-31(27(47)26(46)30(57-35)33(51)52)58-34-28(48)24(44)25(45)29(56-34)32(49)50/h7-8,21-31,34-35,43-48H,9-18H2,1-6H3,(H,49,50)(H,51,52)(H,53,54)/t21-,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,34+,35-,37-,38+,39+,40-,41-,42-/m1/s1

• Std. InChIKey

  IPBGQSWRSQPGCF-LIOOBZAHSA-N

• Cite this record

  CSID:57620807, http://www.chemspider.com/Chemical-Structure.57620807.html (accessed 21:53, Apr 19, 2024)