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(-)-2,5-Dibromo-4-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]vinyl}benzaldehyde

View entire compound with spectra: 1 MS (GC)

(-)-2,5-Dibromo-4-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]vinyl}benzaldehyde
SpectraBase Compound ID 1GLNe6lJ6Pw
InChI InChI=1S/C23H28Br2O2/c1-22(2,3)27-21-10-9-18-15(6-5-11-23(18,21)4)7-8-16-12-20(25)17(14-26)13-19(16)24/h5-8,12-15,18,21H,9-11H2,1-4H3/b8-7-/t15-,18-,21-,23-/m0/s1
InChIKey COSIFPFDLIEJMP-FXUJFVHRSA-N
Mol Weight 496.28 g/mol
Molecular Formula C23H28Br2O2
Exact Mass 494.045606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vlN85XxDqq
Name (-)-2,5-Dibromo-4-[(Z)-2-[(1S,3aS,4S,7aS)-1-tert-butoxy-7a-methyl-2,3,3a,4,7,7a-hexahydro-1H-inden-4-yl]vinyl}benzaldehyde
Alternate Name(s) (6Z,17beta)-1,4-dibromo-17-tert-butoxy-9,10-secoestra-1,3,5(10),6,9-pentaene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28Br2O2
InChI InChI=1S/C23H28Br2O2/c1-22(2,3)27-21-10-9-18-15(6-5-11-23(18,21)4)7-8-16-12-20(25)17(14-26)13-19(16)24/h5-8,12-15,18,21H,9-11H2,1-4H3/b8-7-/t15-,18-,21-,23-/m0/s1
InChIKey COSIFPFDLIEJMP-FXUJFVHRSA-N
Molecular Weight 496.283 g/mol
SMILES [C@]12([C@@](CC[C@@]2(OC(C)(C)C)[H])([C@](\C=C/c2c(cc(c(c2)Br)C=O)Br)(C=CC1)[H])[H])C
SPLASH splash10-0a4l-9000500000-95075eaffbb44072cbef
Source of Spectrum QE-8-2121-13
Wiley ID 1557604