John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FDhzHFnygP1 SpectraBase Spectrum ID=29ig6Wu8ujj

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PEPEROVULCANONE-B;5-HYDROXY-2-[12'-(3'',4''-METHYLENEDIOXYPHENYL)-DODECANYL]-CHROMONE
SpectraBase Compound ID FDhzHFnygP1
InChI InChI=1S/C28H34O5/c29-23-14-11-15-26-28(23)24(30)19-22(33-26)13-10-8-6-4-2-1-3-5-7-9-12-21-16-17-25-27(18-21)32-20-31-25/h11,14-19,29H,1-10,12-13,20H2
InChIKey WXQJLCFYLWJSBU-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C28H34O5
Exact Mass 450.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29ig6Wu8ujj
Name PEPEROVULCANONE-B;5-HYDROXY-2-[12'-(3'',4''-METHYLENEDIOXYPHENYL)-DODECANYL]-CHROMONE
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O5
InChI InChI=1S/C28H34O5/c29-23-14-11-15-26-28(23)24(30)19-22(33-26)13-10-8-6-4-2-1-3-5-7-9-12-21-16-17-25-27(18-21)32-20-31-25/h11,14-19,29H,1-10,12-13,20H2
InChIKey WXQJLCFYLWJSBU-UHFFFAOYSA-N
Literature Reference Author J.A.MBAH,M.H.K.TCHUENDEM,P.TANE,O.STERNER
Literature Reference Citation PHYTOCHEM.,60,799(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00191-7
Molecular Weight 450.575 g/mol
Solvent CDCl3
Source File Reference UWMS1827
SpectraBase Batch ID BKqUzLq7Buc