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OCOBULLENONE;REL-(7R,8R,1'R,3'R)-DELTA(8')-5-METHOXY-3,4-METHYLENEDIOXY-3',4'-METHYLENEDIOXY-1',2',3',6'-TETRAHYDRO-6'-OXO-7.1';8.3'-NEOLIGNAN

View entire compound with spectra: 1 NMR

OCOBULLENONE;REL-(7R,8R,1'R,3'R)-DELTA(8')-5-METHOXY-3,4-METHYLENEDIOXY-3',4'-METHYLENEDIOXY-1',2',3',6'-TETRAHYDRO-6'-OXO-7.1';8.3'-NEOLIGNAN
SpectraBase Compound ID KvLsg05meSs
InChI InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18-,20+,21+/m1/s1
InChIKey VMBFNOIPGQFDTB-SPLXKHAUSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FONuv1HT58o
Name OCOBULLENONE;REL-(7R,8R,1'R,3'R)-DELTA(8')-5-METHOXY-3,4-METHYLENEDIOXY-3',4'-METHYLENEDIOXY-1',2',3',6'-TETRAHYDRO-6'-OXO-7.1';8.3'-NEOLIGNAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-4-5-20-9-21(17(8-16(20)22)25-11-27-21)12(2)18(20)13-6-14(23-3)19-15(7-13)24-10-26-19/h4,6-8,12,18H,1,5,9-11H2,2-3H3/t12-,18-,20+,21+/m1/s1
InChIKey VMBFNOIPGQFDTB-SPLXKHAUSA-N
Literature Reference Author B.M.SEHLAPELO,S.E.DREWES,P.SANDOR
Literature Reference Citation PHYTOCHEM.,32,1352(1993)
Literature Reference DOI 10.1016/S0031-9422(00)95121-5
Molecular Weight 370.402 g/mol
Solvent CDCl3
Source File Reference UWLU6530