NOVAEGUINOSIDE_D;(20-R,22-E,24-R,25-R)-6-ALPHA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOYL]-

SpectraBase Compound ID	HaPYbAgB0Ti
InChI	InChI=1S/C48H79NO22S2.2Na/c1-22(24(3)43(57)49-16-17-72(58,59)60)8-9-23(2)28-10-11-29-27-19-33(31-18-26(71-73(61,62)63)12-14-48(31,6)30(27)13-15-47(28,29)5)67-45-39(56)41(37(54)34(20-50)68-45)69-46-42(36(53)32(51)21-65-46)70-44-38(55)40(64-7)35(52)25(4)66-44;;/h8-9,13,22-29,31-42,44-46,50-56H,10-12,14-21H2,1-7H3,(H,49,57)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b9-8+;;/t22-,23+,24+,25-,26-,27-,28+,29-,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,44+,45-,46+,47+,48+;;/m0../s1
InChIKey	BTFDEJSTRLPZEG-MWAHTEOZSA-L Google Search
Mol Weight	1130.22853856 g/mol
Molecular Formula	C48H77NNa2O22S2
Exact Mass	1129.417404 g/mol

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SpectraBase Spectrum ID	DiBk4ojJEVY
Name	NOVAEGUINOSIDE_D;(20-R,22-E,24-R,25-R)-6-ALPHA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->2)-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOYL]-
Compound Number	4
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C48H77NNa2O22S2
InChI	InChI=1S/C48H79NO22S2.2Na/c1-22(24(3)43(57)49-16-17-72(58,59)60)8-9-23(2)28-10-11-29-27-19-33(31-18-26(71-73(61,62)63)12-14-48(31,6)30(27)13-15-47(28,29)5)67-45-39(56)41(37(54)34(20-50)68-45)69-46-42(36(53)32(51)21-65-46)70-44-38(55)40(64-7)35(52)25(4)66-44;;/h8-9,13,22-29,31-42,44-46,50-56H,10-12,14-21H2,1-7H3,(H,49,57)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b9-8+;;/t22-,23+,24+,25-,26-,27-,28+,29-,31+,32-,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,44+,45-,46+,47+,48+;;/m0../s1
InChIKey	BTFDEJSTRLPZEG-MWAHTEOZSA-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	1130.232 g/mol
Sample ID	32211
Solvent	C5D5N