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(1-R,2-S,5-R,6-S)-2-(3,4-METHYLENEDIOXYPHENYL)-6-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3,7-DIOXABICYCLO-[3.3.0]-OCTANE
SpectraBase Compound ID 9aNCCra6Jlg
InChI InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20+,21+/m0/s1
InChIKey WQXZSCSXVJCPOG-BMHXQBNDSA-N
Mol Weight 386.4 g/mol
Molecular Formula C21H22O7
Exact Mass 386.136553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7a8Km9UNmYd
Name (1-R,2-S,5-R,6-S)-2-(3,4-METHYLENEDIOXYPHENYL)-6-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-3,7-DIOXABICYCLO-[3.3.0]-OCTANE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O7
InChI InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20+,21+/m0/s1
InChIKey WQXZSCSXVJCPOG-BMHXQBNDSA-N
Literature Reference Author N.LI,J.L.WU,T.HASEGAWA,J.I.SASAKI,L.M.BAI,L.Y.WANG,S.KAKUTA, Y.FURUYA,H.OGURA,T.K
Literature Reference Citation J.NAT.PROD.,70,544(2007)
Literature Reference DOI 10.1021/np0604533
Molecular Weight 386.401 g/mol
Sample ID 30094
Solvent CDCl3