(3β,9β,22S)-3-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-26-oxo-22,26-epoxy-9,19-cyclolanost-24-en-28-oic acid

More details:

• Systematic name

  (3beta,9beta,22S)-3-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-26-oxo-22,26-epoxy-9,19-cyclolanost-24-en-28-oic acid

• SMILES

  CC1=CC[C@H](OC1=O)[C@@H](C)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CC[C@@H]([C@@]6(C)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C

• Std. InChi

  InChI=1S/C42H64O15/c1-19-6-7-22(53-34(19)50)20(2)21-10-12-39(4)25-8-9-26-40(5,37(51)52)27(11-13-41(26)18-42(25,41)15-14-38(21,39)3)56-36-33(31(48)29(46)24(17-44)55-36)57-35-32(49)30(47)28(45)23(16-43)54-35/h6,20-33,35-36,43-49H,7-18H2,1-5H3,(H,51,52)/t20-,21+,22-,23+,24+,25-,26-,27-,28+,29+,30-,31-,32+,33+,35-,36-,38+,39-,40-,41+,42-/m0/s1

• Std. InChIKey

  NISBQKZXGCOUOU-UNEPLQKGSA-N

• Cite this record

  CSID:24711676, http://www.chemspider.com/Chemical-Structure.24711676.html (accessed 16:35, May 1, 2024)