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7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC

Compound with spectra: 2 NMR

7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC
SpectraBase Compound ID It3sjPSL7XM
InChI InChI=1S/C25H23NO6S/c1-11(27)26-17(25(31)32)10-33-24-16-9-14-6-5-12-3-2-4-13-7-8-15(19(14)18(12)13)20(16)21(28)22(29)23(24)30/h2-9,17,21-24,28-30H,10H2,1H3,(H,26,27)(H,31,32)/t17?,21-,22+,23+,24?/m0/s1
InChIKey GDEBBOXETJVDHK-JRIRSLPMSA-N
Mol Weight 465.52 g/mol
Molecular Formula C25H23NO6S
Exact Mass 465.124609 g/mol
Enantiomer InChIKey GDEBBOXETJVDHK-GVBAGOEHSA-N

View Spectrum of 7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.

View Spectrum of 7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
  • 7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-2;REV-BPDE-7-NAC
10-(N-ACETYL-CYSTEINYL)-7,8,9-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;BPDE-10-NAC
8.alpha.,9.alpha.-dimethylmethylenedioxy-7.beta.,10.beta.-dihydroxy-7,8,9,10-tettrahydrobenzo(a)pyrene
permethyl-BP-tetrol
4-{[3-(1H-1,2,3-benzotriazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl]amino}phenyl benzenesulfonate
Dimethyl 7-acetylamino-5-oxo-4H-benzo[c]-2H-chromen-8,9-dicarboxylate
PONGAMONE-B;(2S)-3'',4''-DIHYDRO-4'',5''-DIACETOXY-6''-DIMETHYLPYRANO-[5'',6'':7,8]-FLAVANONE
PENTANDROGENIN-B;(25S)-12-ALPHA,16-BETA-DIHYDROXY-CHOLEST-4-EN-3-ONE
9-Acetyl-7-(4-bromophenyl)-5,5a,10,11-tetrahydro-7H-7,8,9a,11-tetraazabenzo[b]fluoren-6-one
3-(2-HYDROXYETHYL)-2-METHYLAMINOCARBONYL-1-METHYL-4-OXO-2-QUINAZOLINEACETIC-ACID-N-METHYLAMIDE
10-Formyl-9,12-dipropylindeno-corrannulene
Title Journal or Book Year
Preferential Glutathione Conjugation of a Reverse Diol Epoxide Compared with a Bay Region Diol Epoxide of Benzo[a]pyrene in Human Hepatocytes Drug Metabolism and Disposition 2010
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