John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=80tdIIQsZCE SpectraBase Spectrum ID=2v2hJYQRE4p

(accessed ).
(7'-S,8'-S)-5-O-DEMETHYL-4'-O-METHYLBILAGREWIN
SpectraBase Compound ID 80tdIIQsZCE
InChI InChI=1S/C21H22O8/c1-25-15-9-13(10-16(26-2)21(15)27-3)19-18(11-23)29-20-14(24)7-12(5-4-6-22)8-17(20)28-19/h4-10,18-19,23-24H,11H2,1-3H3/b5-4+/t18-,19-/m0/s1
InChIKey ADJSJZWPHSSENG-OJBOGMDESA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2v2hJYQRE4p
Name (7'-S,8'-S)-5-O-DEMETHYL-4'-O-METHYLBILAGREWIN
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-25-15-9-13(10-16(26-2)21(15)27-3)19-18(11-23)29-20-14(24)7-12(5-4-6-22)8-17(20)28-19/h4-10,18-19,23-24H,11H2,1-3H3/b5-4+/t18-,19-/m0/s1
InChIKey ADJSJZWPHSSENG-OJBOGMDESA-N
Literature Reference Author J.J.CHEN,T.Y.WANG,T.L.HWANG
Literature Reference Citation J.NAT.PROD.,71,212(2008)
Literature Reference DOI 10.1021/np070594k
Molecular Weight 402.401 g/mol
Sample ID 27424
Solvent CDCl3
SpectraBase Batch ID 2urTdD2pgmQ