(3β,5ξ,21β,22β)-21,22,24,29-Tetrahydroxy-29-oxoolean-12-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-β-D-galactopyranosyl-(1->2)-β-D-glucopyranosiduronic acid

More details:

• Systematic name

  (3beta,5xi,21beta,22beta)-21,22,24,29-Tetrahydroxy-29-oxoolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid

• SMILES

  O=C(O)[C@@]3(C)C[C@H]2/C1=C/C[C@H]8[C@](C)([C@]1(C)CC[C@@]2(C)[C@H](O)[C@@H]3O)CCC7[C@]8(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)[C@]7(C)CO

• Std. InChi

  InChI=1S/C48H76O21/c1-19-26(51)28(53)32(57)39(64-19)68-34-29(54)27(52)22(17-49)65-40(34)69-35-31(56)30(55)33(38(60)61)67-41(35)66-25-11-12-44(3)23(46(25,5)18-50)10-13-48(7)24(44)9-8-20-21-16-45(4,42(62)63)37(59)36(58)43(21,2)14-15-47(20,48)6/h8,19,21-37,39-41,49-59H,9-18H2,1-7H3,(H,60,61)(H,62,63)/t19-,21-,22+,23?,24+,25-,26-,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37-,39-,40-,41+,43+,44-,45-,46+,47+,48+/m0/s1

• Std. InChIKey

  MUWPBWRABGOPKR-UAEFKFICSA-N

• Cite this record

  CSID:9018918, http://www.chemspider.com/Chemical-Structure.9018918.html (accessed 15:58, Apr 25, 2024)