1-O-[(3β)-3-{[6-Butyl-3-O-(β-D-galactopyranosyl)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(3beta)-3-{[6-Butyl-3-O-(beta-D-galactopyranosyl)-beta-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

• SMILES

  CCCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4(CC[C@@]6([C@H]5CC(CC6)(C)C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O

• Std. InChi

  InChI=1S/C52H84O19/c1-9-10-21-65-42(63)41-38(61)40(69-43-36(59)34(57)32(55)27(23-53)66-43)39(62)45(70-41)68-31-14-15-49(6)29(48(31,4)5)13-16-51(8)30(49)12-11-25-26-22-47(2,3)17-19-52(26,20-18-50(25,51)7)46(64)71-44-37(60)35(58)33(56)28(24-54)67-44/h11,26-41,43-45,53-62H,9-10,12-24H2,1-8H3/t26-,27+,28+,29-,30+,31-,32-,33+,34-,35-,36+,37+,38-,39+,40-,41-,43-,44-,45+,49-,50+,51+,52-/m0/s1

• Std. InChIKey

  MGYFZCUYTCZBNN-CUWBYJHPSA-N

• Cite this record

  CSID:17257324, http://www.chemspider.com/Chemical-Structure.17257324.html (accessed 23:04, Jul 3, 2024)