| SpectraBase Spectrum ID |
3xYpX6ZXOuJ |
| Name |
7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC |
| Copyright |
Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula |
C25H23NO6S |
| 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 |
| Literature Reference Author |
P.UPADHYAYA,J.B.HOCHALTER,S.BALBO,E.J.MCINTEE,S.S.HECHT |
| Literature Reference Citation |
DRUG.MET.DISP.,38,1397(2010) |
| Literature Reference DOI |
10.1124/dmd.110.034181 |
| Molecular Weight |
465.521 g/mol |
| Source File Reference |
UWLU74039 |
![7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC](/api/spectrum/3xYpX6ZXOuJ/structure.png?h=300&w=458 "7-(N-ACETYL-CYSTEINYL)-8,9,10-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;REV-BPDE-7-NAC")
