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

View entire compound with spectra: 1 NMR

4''-O-(8-GUAIACYLGLYCEROL)-BUDDLENOL_A
SpectraBase Compound ID 4jtfX9YQMmi
InChI InChI=1S/C41H46O15/c1-49-30-15-23(8-10-28(30)46)37(47)35(20-44)54-29-11-9-24(16-31(29)50-2)38(48)36(21-45)55-41-33(52-4)17-25(18-34(41)53-5)39-27(19-43)26-13-22(7-6-12-42)14-32(51-3)40(26)56-39/h6-18,27,35-39,43-48H,19-21H2,1-5H3/b7-6+/t27-,35?,36?,37?,38?,39+/m1/s1
InChIKey HITLEOURIXKLBL-DRATVDAASA-N
Mol Weight 778.8 g/mol
Molecular Formula C41H46O15
Exact Mass 778.283671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvjAAOzLAfM
Name 4''-O-(8-GUAIACYLGLYCEROL)-BUDDLENOL_A
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H46O15
InChI InChI=1S/C41H46O15/c1-49-30-15-23(8-10-28(30)46)37(47)35(20-44)54-29-11-9-24(16-31(29)50-2)38(48)36(21-45)55-41-33(52-4)17-25(18-34(41)53-5)39-27(19-43)26-13-22(7-6-12-42)14-32(51-3)40(26)56-39/h6-18,27,35-39,43-48H,19-21H2,1-5H3/b7-6+/t27-,35?,36?,37?,38?,39+/m1/s1
InChIKey HITLEOURIXKLBL-DRATVDAASA-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 778.807 g/mol
Sample ID 30077
Solvent CD3OD