(3β,5ξ,9ξ,18ξ)-3-{[6-Deoxy-4-O-(β-D-glucopyranosyl)-α-L-mannopyranosyl]oxy}urs-12-ene-27,28-dioic acid

More details:

• Systematic name

  (3beta,5xi,9xi,18xi)-3-{[6-Deoxy-4-O-(beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy}urs-12-ene-27,28-dioic acid

• SMILES

  C[C@H]1[C@@H](C2[C@@](CC[C@@]3(C2=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)C)O[C@@H]6O[C@H]([C@@H]([C@H]([C@H]6O)O)O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)CO)C)C)C)C(=O)O)(CC1)C(=O)O)C

• Std. InChi

  InChI=1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-34-32(48)30(46)33(21(3)53-34)56-35-31(47)29(45)28(44)23(18-43)54-35/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21+,23-,24?,25?,26+,27?,28-,29+,30+,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1

• Std. InChIKey

  IIIOQVDDEWZCEQ-YKQGQIHISA-N

• Cite this record

  CSID:21615398, http://www.chemspider.com/Chemical-Structure.21615398.html (accessed 21:48, Apr 16, 2024)