HACQUETIASAPONIN-3;3-O-{BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-ACETYL-

SpectraBase Compound ID	I6MPFQKodzd
InChI	InChI=1S/C54H86O23/c1-11-22(2)45(69)77-43-42(71-23(3)57)49(4,5)18-25-24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(66)54(25,43)21-56)73-48-39(76-47-35(63)33(61)32(60)27(19-55)72-47)37(36(64)38(75-48)44(67)68)74-46-34(62)31(59)26(58)20-70-46/h12,22,25-43,46-48,55-56,58-66H,11,13-21H2,1-10H3,(H,67,68)/t22?,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41+,42-,43-,46+,47-,48-,51-,52+,53-,54-/m0/s1
InChIKey	UEPOIKVSEAKZJU-MVVXMGBTSA-N Google Search
Mol Weight	1103.3 g/mol
Molecular Formula	C54H86O23
Exact Mass	1102.555989 g/mol

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SpectraBase Spectrum ID	KOEeoc6DrsI
Name	HACQUETIASAPONIN-3;3-O-{BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-ACETYL-
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H86O23
InChI	InChI=1S/C54H86O23/c1-11-22(2)45(69)77-43-42(71-23(3)57)49(4,5)18-25-24-12-13-29-51(8)16-15-30(50(6,7)28(51)14-17-52(29,9)53(24,10)40(65)41(66)54(25,43)21-56)73-48-39(76-47-35(63)33(61)32(60)27(19-55)72-47)37(36(64)38(75-48)44(67)68)74-46-34(62)31(59)26(58)20-70-46/h12,22,25-43,46-48,55-56,58-66H,11,13-21H2,1-10H3,(H,67,68)/t22?,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41+,42-,43-,46+,47-,48-,51-,52+,53-,54-/m0/s1
InChIKey	UEPOIKVSEAKZJU-MVVXMGBTSA-N
Literature Reference Author	J.BURCZYK,G.REZNICEK,S.BAUMGARTEN,M.HUGH-BLOCH,J.JURENITSCH, H.SCHROEDER,U.WERZ,E
Literature Reference Citation	PHYTOCHEM.,39,195(1995)
Literature Reference DOI	10.1016/0031-9422(94)00871-P
Molecular Weight	1103.263 g/mol
Solvent	C5D5N
Source File Reference	UWMZ8411