(4α)-β-D-Glucopyranosyl 13-((2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy)kaur-16-en-18-oate

More details:

• Systematic name

  1-O-(13-{[2-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl)-beta-D-glucopyranose

• SMILES

  C[C@]12CCC[C@@]([C@@H]1CC[C@@]34[C@@H]2CC[C@@](C3)(C(=C)C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)(C)C(=O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O

• Std. InChi

  InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(50)55-32-29(49)26(46)23(43)18(13-40)52-32)21(37)6-10-38(16,15-37)56-33-30(27(47)24(44)19(14-41)53-33)54-31-28(48)25(45)22(42)17(12-39)51-31/h17-33,39-49H,1,4-15H2,2-3H3/t17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31+,32+,33+,35+,36-,37+,38-/m1/s1

• Std. InChIKey

  UEDUENGHJMELGK-OBKNMXKASA-N

• Cite this record

  CSID:19961971, http://www.chemspider.com/Chemical-Structure.19961971.html (accessed 19:27, May 1, 2024)