1-O-[(2β,3β,5ξ,9ξ)-3-{[3-O-(Carboxyacetyl)-β-D-xylopyranosyl]oxy}-2,23-dihydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  3-[(2S,3R,4S,5R)-2-[[(2S,3R,4R,6aR,6bS,8aS,12aS,14bR)-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-tetrahydropyran-4-yl]oxy-3-oxo-propanoic acid

• SMILES

  C[C@@]12CCC3[C@@](C1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@@H]([C@@H]([C@@]3(C)CO)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)OC(=O)CC(=O)O)O)O)C

• Std. InChi

  InChI=1S/C44H68O17/c1-39(2)11-13-44(38(56)61-37-32(54)31(53)30(52)25(18-45)58-37)14-12-42(5)21(22(44)16-39)7-8-27-40(3)17-23(47)35(41(4,20-46)26(40)9-10-43(27,42)6)60-36-33(55)34(24(48)19-57-36)59-29(51)15-28(49)50/h7,22-27,30-37,45-48,52-55H,8-20H2,1-6H3,(H,49,50)/t22-,23-,24+,25+,26?,27?,30+,31-,32+,33+,34-,35-,36-,37-,40-,41-,42+,43+,44-/m0/s1

• Std. InChIKey

  GCLVKIXOISSSOM-HUSOEYKKSA-N

• Cite this record

  CSID:71044167, http://www.chemspider.com/Chemical-Structure.71044167.html (accessed 21:01, Jul 4, 2024)