(3β,5ξ)-3-{[6-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

More details:

• Systematic name

  (3beta,5xi)-3-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-23-hydroxyolean-12-en-28-oic acid

• SMILES

  O=C(O)[C@@]72[C@H](/C1=C/C[C@H]6[C@](C)([C@]1(C)CC2)CCC5[C@]6(C)CC[C@H](O[C@@H]4O[C@H](CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@]5(C)CO)CC(C)(C)CC7

• Std. InChi

  InChI=1S/C42H68O14/c1-37(2)13-15-42(36(51)52)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(39(4,20-44)25(38)9-12-41(26,40)6)56-35-33(50)31(48)29(46)24(55-35)19-53-34-32(49)30(47)28(45)23(18-43)54-34/h7,22-35,43-50H,8-20H2,1-6H3,(H,51,52)/t22-,23+,24+,25?,26+,27-,28+,29+,30-,31-,32+,33+,34+,35-,38-,39-,40+,41+,42-/m0/s1

• Std. InChIKey

  XJUZXBNJRMQADK-ZDJSBPLASA-N

• Cite this record

  CSID:9357011, http://www.chemspider.com/Chemical-Structure.9357011.html (accessed 07:45, Apr 24, 2024)