| SpectraBase Spectrum ID |
BBDuZv2TTHN |
| Name |
10-(N-ACETYL-CYSTEINYL)-7,8,9-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;BPDE-10-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)10-33-24-20-15-8-7-13-4-2-3-12-5-6-14(19(15)18(12)13)9-16(20)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?/m1/s1 |
| InChIKey |
FAZACKXUPVHILH-GVBAGOEHSA-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 |
UWLU74041 |
![10-(N-ACETYL-CYSTEINYL)-7,8,9-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;BPDE-10-NAC](/api/spectrum/BBDuZv2TTHN/structure.png?h=300&w=458 "10-(N-ACETYL-CYSTEINYL)-7,8,9-TRIHYDROXY-7,8,9,10-TETRAHYDROBENZO-[A]-PYRENE;ISOMER-1;BPDE-10-NAC")
