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#6;ROTUNDIOSIDE-K;3-BETA-SULFATE-16-ALPHA-HYDROXY-OLEAN-12-ENE-28-OYL-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID EiMgBlFkuJC
InChI InChI=1S/C48H78O22S/c1-43(2)14-15-48(22(16-43)21-8-9-27-45(5)12-11-29(70-71(61,62)63)44(3,4)26(45)10-13-46(27,6)47(21,7)17-28(48)51)42(60)69-40-37(59)34(56)32(54)25(67-40)20-64-41-38(35(57)31(53)24(19-50)66-41)68-39-36(58)33(55)30(52)23(18-49)65-39/h8,22-41,49-59H,9-20H2,1-7H3,(H,61,62,63)/t22-,23+,24+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34-,35-,36+,37+,38+,39-,40-,41+,45-,46+,47+,48+/m0/s1
InChIKey LYWUVWLTUQWUEJ-NXIZOBNTSA-N
Mol Weight 1039.2 g/mol
Molecular Formula C48H78O22S
Exact Mass 1038.470545 g/mol
Enantiomer InChIKey LYWUVWLTUQWUEJ-DMYBWAAESA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Antiproliferative Constituents from Umbelliferae Plants. IX. New Triterpenoid Glycosides from the Fruits of Bupleurum rotundifolium Chemical and Pharmaceutical Bulletin 2006

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