1-O-[(3β,18ξ,19α)-3-{[β-D-Glucopyranosyl-(1->3)-[β-D-xylopyranosyl-(1->2)]-β-D-glucopyranosyl]oxy}-19-hydroxy-28-oxoolean-12-en-28-yl]-β-D-glucopyranose

More details:

• Systematic name

  1-O-[(3beta,18xi,19alpha)-3-{[beta-D-Glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-19-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose

• SMILES

  C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5(C4[C@@H](C(CC5)(C)C)O)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O

• Std. InChi

  InChI=1S/C53H86O23/c1-48(2)14-16-53(47(68)76-45-39(66)36(63)33(60)25(19-55)71-45)17-15-51(6)22(30(53)42(48)67)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)73-46-41(75-43-37(64)31(58)23(57)21-69-43)40(34(61)26(20-56)72-46)74-44-38(65)35(62)32(59)24(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3/t23-,24-,25-,26-,27+,28-,29+,30?,31+,32-,33-,34-,35+,36+,37-,38-,39-,40+,41-,42+,43+,44+,45+,46+,50+,51-,52-,53+/m1/s1

• Std. InChIKey

  WDXHUBXAQHLOJE-UJQUSSOLSA-N

• Cite this record

  CSID:29214428, http://www.chemspider.com/Chemical-Structure.29214428.html (accessed 08:01, Apr 25, 2024)