1-O-[(3β,6β)-6-Hydroxy-28-oxo-3-{[2-O-(β-D-xylopyranosyl)-β-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(3beta,6beta)-6-Hydroxy-28-oxo-3-{[2-O-(beta-D-xylopyranosyl)-beta-D-glucopyranuronosyl]oxy}olean-12-en-28-yl]-beta-D-glucopyranose

• SMILES

  [H][C@]12CC(C)(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]4(C)C1=CC[C@@]5([H])[C@@]4(C)C[C@@H](O)[C@@]6([H])C(C)(C)[C@@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)CC[C@@]65C C[C@@]12CC[C@]3(CCC(C)(C)C[C@H]3C1=CC[C@H]1[C@@]2(C)C[C@@H](O)[C@@H]2[C@]1(C)CC[C@H](O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2(C)C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C47H74O19/c1-42(2)12-14-47(41(60)66-39-33(57)29(53)28(52)24(18-48)62-39)15-13-45(6)20(21(47)16-42)8-9-25-44(5)11-10-26(43(3,4)36(44)22(49)17-46(25,45)7)63-40-35(31(55)30(54)34(64-40)37(58)59)65-38-32(56)27(51)23(50)19-61-38/h8,21-36,38-40,48-57H,9-19H2,1-7H3,(H,58,59)/t21-,22+,23+,24+,25+,26-,27-,28+,29-,30-,31-,32+,33+,34-,35+,36-,38-,39-,40+,44+,45+,46+,47-/m0/s1

• Std. InChIKey

  YBRMGZSJJYGYRG-NTNLGEHXSA-N

• Cite this record

  CSID:73984044, http://www.chemspider.com/Chemical-Structure.73984044.html (accessed 23:15, Jun 16, 2024)