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(M,2S,2''S)-7,8,3',4,'5',7'',8'',3''',4''',5'''-DECAMETHOXY-5,5''-BIFLAVAN

View entire compound with spectra: 2 NMR

(M,2S,2''S)-7,8,3',4,'5',7'',8'',3''',4''',5'''-DECAMETHOXY-5,5''-BIFLAVAN
SpectraBase Compound ID B2ptOypoxZJ
InChI InChI=1S/C40H46O12/c1-41-29-15-21(16-30(42-2)37(29)47-7)27-13-11-23-25(19-33(45-5)39(49-9)35(23)51-27)26-20-34(46-6)40(50-10)36-24(26)12-14-28(52-36)22-17-31(43-3)38(48-8)32(18-22)44-4/h15-20,27-28H,11-14H2,1-10H3/t27-,28-/m0/s1
InChIKey REPDDXHIPPWTHA-NSOVKSMOSA-N
Mol Weight 718.8 g/mol
Molecular Formula C40H46O12
Exact Mass 718.298927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dL2nZ2jlYY
Name (P,2S,2''S)-7,8,3',4,'5',7'',8'',3''',4''',5'''-DECAMETHOXY-5,5''-BIFLAVAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H46O12
InChI InChI=1S/C40H46O12/c1-41-29-15-21(16-30(42-2)37(29)47-7)27-13-11-23-25(19-33(45-5)39(49-9)35(23)51-27)26-20-34(46-6)40(50-10)36-24(26)12-14-28(52-36)22-17-31(43-3)38(48-8)32(18-22)44-4/h15-20,27-28H,11-14H2,1-10H3/t27-,28-/m0/s1
InChIKey REPDDXHIPPWTHA-NSOVKSMOSA-N
Literature Reference Author W.L.KUO,H.R.LIAO,J.J.CHEN
Literature Reference Citation MOLECULES,19,20521(2014)
Literature Reference DOI 10.3390/molecules191220521
Molecular Weight 718.798 g/mol
Solvent CDCl3
Source File Reference UWLU81641