(3β)-3-{[3-O-(β-D-Galactopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-28-oate

More details:

• Systematic name

  (3beta)-3-{[3-O-(beta-D-Galactopyranosyl)-beta-D-glucopyranuronosyl]oxy}olean-12-en-28-oate

• SMILES

  CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O)C([O-])=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1)C([O-])=O

• Std. InChi

  InChI=1S/C42H66O14/c1-37(2)14-16-42(36(51)52)17-15-40(6)20(21(42)18-37)8-9-24-39(5)12-11-25(38(3,4)23(39)10-13-41(24,40)7)54-35-30(48)31(29(47)32(56-35)33(49)50)55-34-28(46)27(45)26(44)22(19-43)53-34/h8,21-32,34-35,43-48H,9-19H2,1-7H3,(H,49,50)(H,51,52)/p-2/t21-,22+,23-,24+,25-,26-,27-,28+,29-,30+,31-,32-,34-,35+,39-,40+,41+,42-/m0/s1

• Std. InChIKey

  BQPYEFAVIPEQIK-AGCVEWRESA-L

• Cite this record

  CSID:128921002, http://www.chemspider.com/Chemical-Structure.128921002.html (accessed 13:42, May 2, 2024)