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#15;(1RS,2RS,4RS,4ASR,10ASR,1'SR)-4-(1'-BENZOYLOXYPROPYL)-7-METHOXY-2-METHYL-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBALDEHYDE;MAJOR-ISOMER

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#15;(1RS,2RS,4RS,4ASR,10ASR,1'SR)-4-(1'-BENZOYLOXYPROPYL)-7-METHOXY-2-METHYL-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBALDEHYDE;MAJOR-ISOMER
SpectraBase Compound ID Lv3OC1yVLXj
InChI InChI=1S/C27H32O4/c1-4-25(31-27(29)18-8-6-5-7-9-18)23-14-17(2)24(16-28)22-12-10-19-15-20(30-3)11-13-21(19)26(22)23/h5-9,11,13,15-17,22-26H,4,10,12,14H2,1-3H3/t17-,22-,23+,24?,25?,26+/m1/s1
InChIKey UEQFGAJVRPJINV-QIXWYABWSA-N
Mol Weight 420.5 g/mol
Molecular Formula C27H32O4
Exact Mass 420.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dCDMiRjSAE
Name #15;(1RS,2RS,4RS,4ASR,10ASR,1'SR)-4-(1'-BENZOYLOXYPROPYL)-7-METHOXY-2-METHYL-3,4,4A,9,10,10A-HEXAHYDROPHENANTHRENE-1(2H)-CARBALDEHYDE;MAJOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32O4
InChI InChI=1S/C27H32O4/c1-4-25(31-27(29)18-8-6-5-7-9-18)23-14-17(2)24(16-28)22-12-10-19-15-20(30-3)11-13-21(19)26(22)23/h5-9,11,13,15-17,22-26H,4,10,12,14H2,1-3H3/t17-,22-,23+,24?,25?,26+/m1/s1
InChIKey UEQFGAJVRPJINV-QIXWYABWSA-N
Literature Reference Author K.A.FAIRWEATHER,L.N.MANDER
Literature Reference Citation ORG.LETTERS,8,3395(2006)
Literature Reference DOI 10.1021/ol061228f
Molecular Weight 420.549 g/mol
Sample ID 60511
Solvent CDCl3