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4''-HYDROXYSULFOXY_2,2''-DIMETHYLTHIELAVIN_P;4-(4'-(2''-METHOXY-4''-HYDROXYSULFOXY-3'',5'',6''-TRIMETHYLBENZYLOXY)-2'-HYDROXY-3',5',6'-TRIMETHYLBENZYLOXY

View entire compound with spectra: 1 NMR

4''-HYDROXYSULFOXY_2,2''-DIMETHYLTHIELAVIN_P;4-(4'-(2''-METHOXY-4''-HYDROXYSULFOXY-3'',5'',6''-TRIMETHYLBENZYLOXY)-2'-HYDROXY-3',5',6'-TRIMETHYLBENZYLOXY
SpectraBase Compound ID 2N2ZqNFiDdQ
InChI InChI=1S/C32H36O13S/c1-12-15(4)25(43-32(37)23-14(3)17(6)27(45-46(38,39)40)20(9)29(23)42-11)18(7)24(33)21(12)31(36)44-26-16(5)13(2)22(30(34)35)28(41-10)19(26)8/h33H,1-11H3,(H,34,35)(H,38,39,40)
InChIKey BWGCUMHTLPQADR-UHFFFAOYSA-N
Mol Weight 660.7 g/mol
Molecular Formula C32H36O13S
Exact Mass 660.187662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jzIWq7QxAw
Name 4''-HYDROXYSULFOXY_2,2''-DIMETHYLTHIELAVIN_P;4-(4'-(2''-METHOXY-4''-HYDROXYSULFOXY-3'',5'',6''-TRIMETHYLBENZYLOXY)-2'-HYDROXY-3',5',6'-TRIMETHYLBENZYLOXY
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H36O13S
InChI InChI=1S/C32H36O13S/c1-12-15(4)25(43-32(37)23-14(3)17(6)27(45-46(38,39)40)20(9)29(23)42-11)18(7)24(33)21(12)31(36)44-26-16(5)13(2)22(30(34)35)28(41-10)19(26)8/h33H,1-11H3,(H,34,35)(H,38,39,40)
InChIKey BWGCUMHTLPQADR-UHFFFAOYSA-N
Literature Reference Author S.BERTRAND,O.SCHUMPP,N.BOHNI,M.MONOD,K.GINDRO,J.L.WOLFENDER
Literature Reference Citation J.NAT.PROD.,76,1157(2013)
Literature Reference DOI 10.1021/np400258f
Molecular Weight 660.690 g/mol
Sample ID 42656
Solvent CD3OD