(3β,15α)-15-Hydroxy-16-oxoolean-12-en-3-yl 3-O-β-D-glucopyranosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,15alpha)-15-Hydroxy-16-oxoolean-12-en-3-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranosiduronic acid

• SMILES

  C[C@@]12[C@@H](O)C(=O)[C@@]3(C)CCC(C)(C)C[C@H]3C1=CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]1O)C(O)=O)C2(C)C

• Std. InChi

  InChI=1S/C42H66O14/c1-37(2)15-16-39(5)20(17-37)19-9-10-23-40(6)13-12-24(38(3,4)22(40)11-14-41(23,7)42(19,8)33(50)32(39)49)54-36-29(48)30(28(47)31(56-36)34(51)52)55-35-27(46)26(45)25(44)21(18-43)53-35/h9,20-31,33,35-36,43-48,50H,10-18H2,1-8H3,(H,51,52)/t20-,21+,22-,23+,24-,25+,26-,27+,28-,29+,30-,31-,33-,35-,36+,39-,40-,41+,42-/m0/s1

• Std. InChIKey

  VYTWIZBCCNZQHS-IIHVYEADSA-N

• Cite this record

  CSID:114545072, http://www.chemspider.com/Chemical-Structure.114545072.html (accessed 11:40, Jun 1, 2024)