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(1RS,4SR,4aSR,9aRS)-1,8-bis(dimethoxymethyl)-1,4-epoxy-1,2,3,4,4a,9,9a,10-octahydro-2,3-dimethylideneanthracene
SpectraBase Compound ID IvPZA4kjWmy
InChI InChI=1S/C22H28O5.3CO.Fe/c1-12-13(2)22(21(25-5)26-6)18-10-14-8-7-9-15(20(23-3)24-4)16(14)11-17(18)19(12)27-22;3*1-2;/h7-9,17-21H,1-2,10-11H2,3-6H3;;;;/t17-,18+,19+,22-;;;;/m1..../s1
InChIKey GURLYSGTTXXXAA-UTJXQAKJSA-N
Mol Weight 512.34 g/mol
Molecular Formula C25H28FeO8
Exact Mass 512.113354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8h8FcGvjhGp
Name (1RS,4SR,4ASR,9ARS)-1,8-BIS-(DIMETHOXYMETHYL)-1,4-EPOXY-1,2,3,4,4A,9,9A,10-OCTAHYDRO-2,3-DIMETHYLIDENEANTHRACENE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28FeO8
InChI InChI=1S/C22H28O5.3CO.Fe/c1-12-13(2)22(21(25-5)26-6)18-10-14-8-7-9-15(20(23-3)24-4)16(14)11-17(18)19(12)27-22;3*1-2;/h7-9,17-21H,1-2,10-11H2,3-6H3;;;;/t17-,18+,19+,22-;;;;/m1..../s1
InChIKey GURLYSGTTXXXAA-UTJXQAKJSA-N
Literature Reference Author E.BONFANTINI,P.VOGEL,A.A.PINKERTON
Literature Reference Citation HELV.CHIM.ACTA,72,906(1989)
Literature Reference DOI 10.1002/hlca.19890720506
Molecular Weight 512.340 g/mol
Solvent CDCl3
Source File Reference UWED111660