1-O-[(5β,9β,10α)-12-{[β-D-Glucopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-(3ξ)-β-D-ribo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-D-glucopyranose

More details:

• Systematic name

  1-O-[(5beta,9beta,10alpha)-12-{[beta-D-Glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-(3xi)-beta-D-ribo-hexopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-D-glucopyranose

• SMILES

  C[C@@]12CCC[C@@]([C@H]1CCC34[C@H]2CC(C(C3)C(=C)C4)O[C@H]5[C@@H](C([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O

• Std. InChi

  InChI=1S/C44H70O23/c1-16-10-44-8-5-23-42(2,6-4-7-43(23,3)41(59)67-39-34(58)31(55)27(51)21(14-47)63-39)24(44)9-18(17(16)11-44)60-40-36(66-38-33(57)30(54)26(50)20(13-46)62-38)35(28(52)22(15-48)64-40)65-37-32(56)29(53)25(49)19(12-45)61-37/h17-40,45-58H,1,4-15H2,2-3H3/t17?,18?,19-,20-,21-,22-,23+,24+,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35?,36-,37+,38+,39?,40-,42-,43-,44?/m1/s1

• Std. InChIKey

  CHSPVGNDBQFQNR-VECHAMHWSA-N

• Cite this record

  CSID:110793, http://www.chemspider.com/Chemical-Structure.110793.html (accessed 01:07, Apr 20, 2024)