(3β,5ξ,11β)-11,30-Dihydroxy-30-oxoolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5xi,11beta)-11,30-Dihydroxy-30-oxoolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid

• SMILES

  O=C(O)[C@]3(C)C[C@H]2/C1=C/[C@H](O)[C@H]7[C@](C)([C@]1(C)CC[C@@]2(C)CC3)CCC6[C@]7(C)CC[C@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)C6(C)C

• Std. InChi

  InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19-31,34-35,43-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,20-,21?,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35+,38+,39-,40-,41+,42+/m0/s1

• Std. InChIKey

  IJZMMIBHHYVGKO-NORKIRDSSA-N

• Cite this record

  CSID:8254697, http://www.chemspider.com/Chemical-Structure.8254697.html (accessed 04:21, May 9, 2024)