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#3;NIGELLOSIDE-C;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-HEDERAGENIN-28-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYLESTER
SpectraBase Compound ID 3PcnE47DyAc
InChI InChI=1S/C53H86O22/c1-23-32(57)36(61)40(65)44(70-23)74-42-33(58)26(56)20-68-46(42)73-31-11-12-49(4)29(50(31,5)22-55)10-13-52(7)30(49)9-8-24-25-18-48(2,3)14-16-53(25,17-15-51(24,52)6)47(67)75-45-41(66)38(63)35(60)28(72-45)21-69-43-39(64)37(62)34(59)27(19-54)71-43/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
InChIKey GFPLPBCJRRNZHM-ICUGHKHQSA-N
Mol Weight 1075.2 g/mol
Molecular Formula C53H86O22
Exact Mass 1074.561074 g/mol
Enantiomer InChIKey GFPLPBCJRRNZHM-PJZDCPNGSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
Four New Triterpene Glycosides from Nigella damascena Chemical and Pharmaceutical Bulletin 2007

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