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Homosteroid - o-bromo - unsaturated - derivative
SpectraBase Compound ID GKtFwZ6Me7
InChI InChI=1S/C26H30BrNO/c1-26-15-14-20-19-13-11-18(29-2)16-17(19)10-12-21(20)22(26)6-5-9-25(26)28-24-8-4-3-7-23(24)27/h3-5,7-9,11,13,16,20-22,25,28H,6,10,12,14-15H2,1-2H3/t20-,21-,22+,25+,26+/m1/s1
InChIKey IDIWFIGMQDAWJF-CYAFDCGGSA-N
Mol Weight 452.44 g/mol
Molecular Formula C26H30BrNO
Exact Mass 451.151078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28tmzSDQpCb
Name Homosteroid - o-bromo - unsaturated - derivative
Alternate Name(s) (2-Bromo-phenyl)-((1S,4aS,4bR,10bS,12aS)-8-methoxy-12a-methyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydro-chrysen-1-yl)-amine 1-(2'-Bromophenyl)amino-5'-methoxy-hexahydronaphtho[a,f]-(1',2',3',4'-tetrahydro)naphthalene (1S,4aS,4bR,10bS,12aS)-N-(2-bromophenyl)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-1H-chrysen-1-amine
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Formula C26H30BrNO
InChI InChI=1S/C26H30BrNO/c1-26-15-14-20-19-13-11-18(29-2)16-17(19)10-12-21(20)22(26)6-5-9-25(26)28-24-8-4-3-7-23(24)27/h3-5,7-9,11,13,16,20-22,25,28H,6,10,12,14-15H2,1-2H3/t20-,21-,22+,25+,26+/m1/s1
InChIKey IDIWFIGMQDAWJF-CYAFDCGGSA-N
Molecular Weight 452.436 g/mol
SMILES N([C@@]1([C@@]2([C@]([C@]3([C@](c4c(cc(OC)cc4)CC3)([H])CC2)[H])(CC=C1)[H])C)[H])c1c(Br)cccc1
SPLASH splash10-00fr-0190200000-22ab4a4f855d19288dc1
Source of Spectrum U1-1999-3017-17
Wiley ID 753418