NEOSIBIRICOSIDE_C;(25-S)-SPIROST-5-EN-3-BETA-O_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-2-O-ACET

SpectraBase Compound ID	DCizNqi3NFf
InChI	InChI=1S/C52H82O23/c1-21-8-13-52(66-19-21)22(2)34-30(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)68-48-44(67-23(3)56)41(64)42(33(18-55)71-48)72-49-45(74-47-40(63)38(61)36(59)31(16-53)69-47)43(37(60)32(17-54)70-49)73-46-39(62)35(58)29(57)20-65-46/h6,21-22,25-49,53-55,57-64H,7-20H2,1-5H3/t21-,22+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+/m1/s1
InChIKey	QLNNJPNPPJBURT-MQOKMBBGSA-N Google Search
Mol Weight	1075.2 g/mol
Molecular Formula	C52H82O23
Exact Mass	1074.524689 g/mol

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SpectraBase Spectrum ID	7SrjF5MWhRN
Name	NEOSIBIRICOSIDE_C;(25-S)-SPIROST-5-EN-3-BETA-O_3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-2-O-ACET
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C52H82O23
InChI	InChI=1S/C52H82O23/c1-21-8-13-52(66-19-21)22(2)34-30(75-52)15-28-26-7-6-24-14-25(9-11-50(24,4)27(26)10-12-51(28,34)5)68-48-44(67-23(3)56)41(64)42(33(18-55)71-48)72-49-45(74-47-40(63)38(61)36(59)31(16-53)69-47)43(37(60)32(17-54)70-49)73-46-39(62)35(58)29(57)20-65-46/h6,21-22,25-49,53-55,57-64H,7-20H2,1-5H3/t21-,22+,25+,26-,27+,28+,29-,30+,31+,32+,33-,34+,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,45+,46+,47-,48-,49-,50+,51+,52+/m1/s1
InChIKey	QLNNJPNPPJBURT-MQOKMBBGSA-N
Literature Reference Author	M.J.AHN,C.Y.KIM,K.D.YOON,M.Y.RYU,J.H.CHEONG,Y.W.CHIN,J.KIM
Literature Reference Citation	J.NAT.PROD.,69,360(2006)
Literature Reference DOI	10.1021/np050394d
Molecular Weight	1075.209 g/mol
Solvent	C5D5N
Source File Reference	UWMZ18113