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5''-METHOXY-4''-O-(8-GUAIACYLGLYCEROL)-BUDDLENOL_A

View entire compound with spectra: 1 NMR

5''-METHOXY-4''-O-(8-GUAIACYLGLYCEROL)-BUDDLENOL_A
SpectraBase Compound ID ACaVAnPVasw
InChI InChI=1S/C42H48O16/c1-50-29-14-23(9-10-28(29)47)37(48)35(20-45)56-41-31(52-3)15-24(16-32(41)53-4)38(49)36(21-46)57-42-33(54-5)17-25(18-34(42)55-6)39-27(19-44)26-12-22(8-7-11-43)13-30(51-2)40(26)58-39/h7-18,27,35-39,44-49H,19-21H2,1-6H3/b8-7+/t27-,35?,36?,37?,38?,39+/m1/s1
InChIKey ZCFXYUOLSAFDRL-ZXJVSXSISA-N
Mol Weight 808.8 g/mol
Molecular Formula C42H48O16
Exact Mass 808.294235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8xJX856mCkN
Name 5''-METHOXY-4''-O-(8-GUAIACYLGLYCEROL)-BUDDLENOL_A
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H48O16
InChI InChI=1S/C42H48O16/c1-50-29-14-23(9-10-28(29)47)37(48)35(20-45)56-41-31(52-3)15-24(16-32(41)53-4)38(49)36(21-46)57-42-33(54-5)17-25(18-34(42)55-6)39-27(19-44)26-12-22(8-7-11-43)13-30(51-2)40(26)58-39/h7-18,27,35-39,44-49H,19-21H2,1-6H3/b8-7+/t27-,35?,36?,37?,38?,39+/m1/s1
InChIKey ZCFXYUOLSAFDRL-ZXJVSXSISA-N
Literature Reference Author X.W.YANG,P.J.ZHAO,Y.L.MA,H.T.XIAO,Y.Q.ZUO,H.P.HE,L.LI,X.J.HA O
Literature Reference Citation J.NAT.PROD.,70,521(2007)
Literature Reference DOI 10.1021/np0603931
Molecular Weight 808.834 g/mol
Sample ID 30078
Solvent CD3OD