NOVAEGUINOSIDE_C;SODIUM-(20-R,24-S)-6-ALPHA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-

SpectraBase Compound ID	IOrnCgNxs9n
InChI	InChI=1S/C45H76O22S2.2Na/c1-20(2)30(67-69(56,57)58)11-8-21(3)25-9-10-26-24-17-31(28-16-23(66-68(53,54)55)12-14-45(28,6)27(24)13-15-44(25,26)5)62-42-37(52)39(35(50)32(18-46)63-42)64-43-40(34(49)29(47)19-60-43)65-41-36(51)38(59-7)33(48)22(4)61-41;;/h13,20-26,28-43,46-52H,8-12,14-19H2,1-7H3,(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2/t21-,22+,23+,24+,25-,26+,28-,29+,30+,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42+,43-,44-,45-;;/m1../s1
InChIKey	OTPOZQNAEOHAGL-JRZIFHGESA-L Google Search
Mol Weight	1077.16453856 g/mol
Molecular Formula	C45H74Na2O22S2
Exact Mass	1076.390855 g/mol

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SpectraBase Spectrum ID	DdXbwlQz6OK
Name	NOVAEGUINOSIDE_C;SODIUM-(20-R,24-S)-6-ALPHA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL]-
Compound Number	3
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C45H74Na2O22S2
InChI	InChI=1S/C45H76O22S2.2Na/c1-20(2)30(67-69(56,57)58)11-8-21(3)25-9-10-26-24-17-31(28-16-23(66-68(53,54)55)12-14-45(28,6)27(24)13-15-44(25,26)5)62-42-37(52)39(35(50)32(18-46)63-42)64-43-40(34(49)29(47)19-60-43)65-41-36(51)38(59-7)33(48)22(4)61-41;;/h13,20-26,28-43,46-52H,8-12,14-19H2,1-7H3,(H,53,54,55)(H,56,57,58);;/q;2*+1/p-2/t21-,22+,23+,24+,25-,26+,28-,29+,30+,31+,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42+,43-,44-,45-;;/m1../s1
InChIKey	OTPOZQNAEOHAGL-JRZIFHGESA-L
Literature Reference Author	H.F.TANG,G.CHENG,J.WU,X.L.CHEN,S.Y.ZHANG,A.D.WENG,H.W.LIN
Literature Reference Citation	J.NAT.PROD.,72,284(2009)
Literature Reference DOI	10.1021/np8004858
Molecular Weight	1077.169 g/mol
Sample ID	32210
Solvent	C5D5N