1-O-[(2β,3β,5ξ,9ξ)-3-{[6-O-(Carboxyacetyl)-β-D-glucopyranosyl]oxy}-2,24-dihydroxy-24,28-dioxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  (2S,3R,4S,6aR,6bS,8aS,12aS,14bR)-3-[(2R,3R,4S,5S,6R)-6-[(2-carboxyacetyl)oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-2-hydroxy-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-tetradecahydropicene-4-carboxylic 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)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COC(=O)CC(=O)O)O)O)O)O)C

• Std. InChi

  InChI=1S/C45H68O19/c1-40(2)11-13-45(39(59)64-37-34(56)31(53)29(51)23(18-46)61-37)14-12-42(4)20(21(45)16-40)7-8-25-41(3)17-22(47)35(44(6,38(57)58)26(41)9-10-43(25,42)5)63-36-33(55)32(54)30(52)24(62-36)19-60-28(50)15-27(48)49/h7,21-26,29-37,46-47,51-56H,8-19H2,1-6H3,(H,48,49)(H,57,58)/t21-,22-,23+,24+,25?,26?,29+,30+,31-,32-,33+,34+,35-,36-,37-,41+,42+,43+,44-,45-/m0/s1

• Std. InChIKey

  YOXRCWBQUFOFDB-DELBEMASSA-N

• Cite this record

  CSID:71044127, http://www.chemspider.com/Chemical-Structure.71044127.html (accessed 03:29, Apr 19, 2024)