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ENT-(13S)-PARA-BROMOBENZOYLOXY-ATIS-16-ENE-3,14-DIONE
SpectraBase Compound ID AAKWDSabhp5
InChI InChI=1S/C27H31BrO4/c1-15-14-27-12-9-19-25(2,3)21(29)10-11-26(19,4)20(27)13-18(15)22(23(27)30)32-24(31)16-5-7-17(28)8-6-16/h5-8,18-20,22H,1,9-14H2,2-4H3/t18-,19+,20-,22+,26+,27-/m0/s1
InChIKey VFWQJQMMUOXAQH-MVUYBCDNSA-N
Mol Weight 499.45 g/mol
Molecular Formula C27H31BrO4
Exact Mass 498.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95iEAAQCgnb
Name ENT-(13S)-PARA-BROMOBENZOYLOXY-ATIS-16-ENE-3,14-DIONE
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31BrO4
InChI InChI=1S/C27H31BrO4/c1-15-14-27-12-9-19-25(2,3)21(29)10-11-26(19,4)20(27)13-18(15)22(23(27)30)32-24(31)16-5-7-17(28)8-6-16/h5-8,18-20,22H,1,9-14H2,2-4H3/t18-,19+,20-,22+,26+,27-/m0/s1
InChIKey VFWQJQMMUOXAQH-MVUYBCDNSA-N
Literature Reference Author A.R.LAL,R.C.CAMBIE,P.S.RUTLEDGE,P.D.WOODGATE
Literature Reference Citation PHYTOCHEM.,29,1925(1990)
Literature Reference DOI 10.1016/0031-9422(90)85042-E
Molecular Weight 499.445 g/mol
Solvent CDCl3
Source File Reference UWLU32194