HACQUETIASAPONIN-1;3-O-{BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-ACETYL-22-

SpectraBase Compound ID	66SSK3gBEKS
InChI	InChI=1S/C54H86O22/c1-11-23(2)45(68)76-43-42(70-24(3)57)49(4,5)18-26-25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(59)54(26,43)22-56)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h12,23,26-43,46-48,55-56,58-65H,11,13-22H2,1-10H3,(H,66,67)/t23?,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	YRSJBCGQOKEZJS-YWGWUNRNSA-N Google Search
Mol Weight	1087.3 g/mol
Molecular Formula	C54H86O22
Exact Mass	1086.561074 g/mol

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SpectraBase Spectrum ID	2PgV6kELeg9
Name	HACQUETIASAPONIN-1;3-O-{BETA-D-GLUCOPYRANOSYL-(1->2)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]-BETA-D-GLUCURONOPYRANOSYL-(1->)}-21-ACETYL-22-
Compound Number	1
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C54H86O22
InChI	InChI=1S/C54H86O22/c1-11-23(2)45(68)76-43-42(70-24(3)57)49(4,5)18-26-25-12-13-30-51(8)16-15-32(50(6,7)29(51)14-17-52(30,9)53(25,10)19-31(59)54(26,43)22-56)72-48-41(75-47-37(64)35(62)34(61)28(20-55)71-47)39(38(65)40(74-48)44(66)67)73-46-36(63)33(60)27(58)21-69-46/h12,23,26-43,46-48,55-56,58-65H,11,13-22H2,1-10H3,(H,66,67)/t23?,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	YRSJBCGQOKEZJS-YWGWUNRNSA-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	1087.264 g/mol
Solvent	C5D5N:CD3OD=1:3
Source File Reference	UWMZ8409