(3β)-30-Methoxy-11,30-dioxoolean-12-en-3-yl 2-O-β-D-galactopyranuronosyl-α-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta)-30-Methoxy-11,30-dioxoolean-12-en-3-yl 2-O-beta-D-galactopyranuronosyl-alpha-D-glucopyranosiduronic acid

• SMILES

  C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)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)OC

• Std. InChi

  InChI=1S/C43H64O16/c1-38(2)22-9-12-43(7)32(21(44)17-19-20-18-40(4,37(54)55-8)14-13-39(20,3)15-16-42(19,43)6)41(22,5)11-10-23(38)56-36-31(27(48)26(47)30(58-36)34(52)53)59-35-28(49)24(45)25(46)29(57-35)33(50)51/h17,20,22-32,35-36,45-49H,9-16,18H2,1-8H3,(H,50,51)(H,52,53)/t20-,22-,23-,24-,25+,26-,27-,28+,29-,30-,31+,32+,35-,36-,39+,40-,41-,42+,43+/m0/s1

• Std. InChIKey

  CAKDFKUXFMLCAR-NOOUDVCYSA-N

• Cite this record

  CSID:170143, http://www.chemspider.com/Chemical-Structure.170143.html (accessed 05:35, Apr 27, 2024)