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LIVOUVILLOSIDE_A_2;3-BETA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-QUINOVOPYRANOSYL-(1->
SpectraBase Compound ID 7cQmTnh3SiD
InChI InChI=1S/C54H84O27S2.2Na/c1-23(2)12-11-17-53(9)44-28(55)20-52(8)27-13-14-31-50(5,6)32(16-18-51(31,7)26(27)15-19-54(44,52)49(63)80-53)76-48-43(35(58)30(21-71-48)81-83(67,68)69)79-45-37(60)36(59)40(25(4)74-45)77-47-39(62)42(34(57)29(75-47)22-72-82(64,65)66)78-46-38(61)41(70-10)33(56)24(3)73-46;;/h13,24-26,29-48,56-62H,1,11-12,14-22H2,2-10H3,(H,64,65,66)(H,67,68,69);;/q;2*+1/p-2/t24-,25+,26+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,51+,52-,53-,54+;;/m0../s1
InChIKey PRLCHBZSCWFJHE-YTCLMEDRSA-L
Mol Weight 1273.32253856 g/mol
Molecular Formula C54H82Na2O27S2
Exact Mass 1272.428028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhLaKFXXwh4
Name LIVOUVILLOSIDE_A_2;3-BETA-O-[3-O-METHYL-BETA-D-QUINOVOPYRANOSYL-(1->3)-6-O-SODIUM_SULFATE-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-QUINOVOPYRANOSYL-(1->
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H82Na2O27S2
InChI InChI=1S/C54H84O27S2.2Na/c1-23(2)12-11-17-53(9)44-28(55)20-52(8)27-13-14-31-50(5,6)32(16-18-51(31,7)26(27)15-19-54(44,52)49(63)80-53)76-48-43(35(58)30(21-71-48)81-83(67,68)69)79-45-37(60)36(59)40(25(4)74-45)77-47-39(62)42(34(57)29(75-47)22-72-82(64,65)66)78-46-38(61)41(70-10)33(56)24(3)73-46;;/h13,24-26,29-48,56-62H,1,11-12,14-22H2,2-10H3,(H,64,65,66)(H,67,68,69);;/q;2*+1/p-2/t24-,25+,26+,29-,30+,31-,32-,33-,34-,35-,36+,37+,38-,39-,40+,41+,42+,43+,44+,45-,46+,47+,48-,51+,52-,53-,54+;;/m0../s1
InChIKey PRLCHBZSCWFJHE-YTCLMEDRSA-L
Literature Reference Author A.S.ANTONOV,S.A.AVILOV,A.I.KALINOVSKY,S.D.ANASTYUK,P.S.DMITR ENOK,E.V.EVTUSHENKO,
Literature Reference Citation J.NAT.PROD.,71,1677(2008)
Literature Reference DOI 10.1021/np800173c
Molecular Weight 1273.328 g/mol
Sample ID 29113
Solvent C5D5N:D2O=4:1