(3β,5ξ)-28-Hydroxy-28-oxoolean-12-en-3-yl 3-O-α-D-xylopyranosyl-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5xi)-28-Hydroxy-28-oxoolean-12-en-3-yl 3-O-alpha-D-xylopyranosyl-beta-D-glucopyranosiduronic 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](C(=O)O)[C@@H](O)[C@H](O[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]4O)C5(C)C)CC(C)(C)CC7

• Std. InChi

  InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23?,24+,25-,26-,27+,28-,29+,30-,31-,33+,34+,38-,39+,40+,41-/m0/s1

• Std. InChIKey

  HWYBGIDROCYPOE-RVQBDHPJSA-N

• Cite this record

  CSID:5293574, http://www.chemspider.com/Chemical-Structure.5293574.html (accessed 04:54, Apr 27, 2024)