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(1RS,6RS,7SR)-7-[(1'RS)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one

View entire compound with spectra: 2 MS (GC)

(1RS,6RS,7SR)-7-[(1'RS)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one
SpectraBase Compound ID 98KKLUnqFH
InChI InChI=1S/C27H29BrO7/c1-31-19-12-11-18-23(24(19)29)27(18,28)22(35-26(30)17-8-6-5-7-9-17)13-10-16-14-20(32-2)25(34-4)21(15-16)33-3/h5-9,12,14-15,18,22-23H,10-11,13H2,1-4H3
InChIKey WXFZVXMOHSCYPO-UHFFFAOYSA-N
Mol Weight 545.43 g/mol
Molecular Formula C27H29BrO7
Exact Mass 544.109666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0QirP0y9BF
Name (1RS,6RS,7SR)-7-[(1'RS)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one
Alternate Name(s) (1RS,6RS,7SR)-7-[(1'SR)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one 1-(7-bromo-3-methoxy-2-oxobicyclo[4.1.0]hept-3-en-7-yl)-3-(3,4,5-trimethoxyphenyl)propyl benzoate 7-[(1'RS)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one 7-[(1'SR)-1'-Benzoyloxy-3'-(3'',4'',5''-trimethoxyphenyl)propyl]-7-bromo-3-methoxybicyclo[4.1.0]hept-3-en-2-one
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Formula C27H29BrO7
InChI InChI=1S/C27H29BrO7/c1-31-19-12-11-18-23(24(19)29)27(18,28)22(35-26(30)17-8-6-5-7-9-17)13-10-16-14-20(32-2)25(34-4)21(15-16)33-3/h5-9,12,14-15,18,22-23H,10-11,13H2,1-4H3
InChIKey WXFZVXMOHSCYPO-UHFFFAOYSA-N
Molecular Weight 545.426 g/mol
SMILES C1(C2C(C(OC)=CCC12)=O)(C(OC(=O)c1ccccc1)CCc1cc(OC)c(c(c1)OC)OC)Br
SPLASH splash10-001i-0900000000-9125c82219c1176a65cd
Source of Spectrum KC-0-2825-23
Wiley ID 780056