1-O-[(3β)-3-{[6-Butyl-2-O-(β-D-glucopyranosyl)-β-D-glucopyranuronosyl]oxy}-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(3beta)-3-{[6-Butyl-2-O-(beta-D-glucopyranosyl)-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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O

• Std. InChi

  InChI=1S/C52H84O19/c1-9-10-21-65-42(63)40-36(59)37(60)41(70-43-38(61)34(57)32(55)27(23-53)66-43)45(69-40)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)71-44-39(62)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

  RSACINGFZMYPQI-AFIXLBJHSA-N

• Cite this record

  CSID:59000819, http://www.chemspider.com/Chemical-Structure.59000819.html (accessed 23:34, Jul 3, 2024)