(3α,5ξ,9β,18α,21α)-21-{[2-O-(β-D-Glucopyranosyl)-β-D-glucopyranosyl]oxy}-3,24-dihydroxyolean-12-en-28-oic acid

More details:

• Systematic name

  (3alpha,5xi,9beta,18alpha,21alpha)-21-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-3,24-dihydroxyolean-12-en-28-oic acid

• SMILES

  C[C@]12CC[C@H]([C@](C1CC[C@@]3([C@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C)C(=O)O)C)C)(C)CO)O

• Std. InChi

  InChI=1S/C42H68O15/c1-37(2)15-21-20-7-8-25-38(3)11-10-26(46)39(4,19-45)24(38)9-12-41(25,6)40(20,5)13-14-42(21,36(52)53)16-27(37)56-35-33(31(50)29(48)23(18-44)55-35)57-34-32(51)30(49)28(47)22(17-43)54-34/h7,21-35,43-51H,8-19H2,1-6H3,(H,52,53)/t21-,22-,23-,24?,25+,26-,27-,28-,29-,30+,31+,32-,33-,34+,35+,38+,39-,40-,41-,42-/m1/s1

• Std. InChIKey

  UXNJZCIDKFVLKW-PFDZANHXSA-N

• Cite this record

  CSID:165529, http://www.chemspider.com/Chemical-Structure.165529.html (accessed 03:01, Apr 19, 2024)