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(4'RS,4A'SR,10A'RS,1SR/1RS)-1-[10A'-METHOXMETHOXY-7'-METHOXY-2'-METHYL-4A',9',10',10A'-TERTAHYDROPHENANTHREN-4'(3'H)-YL]-PROPAN-1-YL-BENZOATE
SpectraBase Compound ID CJ7gSmttcdU
InChI InChI=1S/C29H36O5/c1-5-26(34-28(30)21-9-7-6-8-10-21)25-15-20(2)17-29(18-33-19-31-3)14-13-22-16-23(32-4)11-12-24(22)27(25)29/h6-12,16-17,25-27H,5,13-15,18-19H2,1-4H3/t25-,26?,27+,29-/m0/s1
InChIKey HFVUSGJXQIVOQA-FUAGHSIESA-N
Mol Weight 464.6 g/mol
Molecular Formula C29H36O5
Exact Mass 464.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fcWYF3TyZl
Name (4'RS,4A'SR,10A'RS,1SR/1RS)-1-[10A'-METHOXMETHOXY-7'-METHOXY-2'-METHYL-4A',9',10',10A'-TERTAHYDROPHENANTHREN-4'(3'H)-YL]-PROPAN-1-YL-BENZOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-5-26(34-28(30)21-9-7-6-8-10-21)25-15-20(2)17-29(18-33-19-31-3)14-13-22-16-23(32-4)11-12-24(22)27(25)29/h6-12,16-17,25-27H,5,13-15,18-19H2,1-4H3/t25-,26?,27+,29-/m0/s1
InChIKey HFVUSGJXQIVOQA-FUAGHSIESA-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 464.602 g/mol
Sample ID 60505
Solvent CDCl3