1-O-[(5β,8α,9β,10α,13α)-13-{[6-Deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-2-O-β-D-glucopyranosyl-β-D- glucopyranose

More details:

• Systematic name

  1-O-[(5beta,8alpha,9beta,10alpha,13alpha)-13-{[6-Deoxy-alpha-L-mannopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxokaur-16-en-18-yl]-2-O-beta-D-glucopyranosyl-beta-D- glucopyranose

• SMILES

  C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@@H](CO)O[C@H]2O[C@@]23C[C@]4(CC2=C)CC[C@@H]2[C@@](C)(CCC[C@@]2(C)[C@@H]4CC3)C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

• Std. InChi

  InChI=1S/C50H80O27/c1-18-12-49-10-6-24-47(3,8-5-9-48(24,4)46(67)76-44-39(34(63)29(58)22(15-53)71-44)74-43-37(66)33(62)28(57)21(14-52)70-43)25(49)7-11-50(18,17-49)77-45-40(75-41-35(64)31(60)26(55)19(2)68-41)38(30(59)23(16-54)72-45)73-42-36(65)32(61)27(56)20(13-51)69-42/h19-45,51-66H,1,5-17H2,2-4H3/t19-,20+,21+,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+,41-,42-,43-,44-,45-,47+,48+,49+,50-/m0/s1

• Std. InChIKey

  LASZCLVLJHQWST-DJDMUFINSA-N

• Cite this record

  CSID:113385747, http://www.chemspider.com/Chemical-Structure.113385747.html (accessed 09:37, May 11, 2024)