| SpectraBase Spectrum ID |
3SawqDIFPWa |
| Name |
Benzo[a]pyrene-7,8,9-triol, 10-azido-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)- |
| CAS Registry Number |
128083-98-7 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H15N3O3 |
| InChI |
InChI=1S/C20H15N3O3/c21-23-22-17-16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)18(24)20(26)19(17)25/h1-8,17-20,24-26H/t17-,18+,19+,20-/m0/s1 |
| InChIKey |
ZBINGRRBSKACLB-NMLBUPMWSA-N |
| Molecular Weight |
345.358 g/mol |
| SMILES |
O[C@]1([C@@](c2c([C@@]([C@]1(O)[H])(N=[N+]=[N-])[H])c1c3c(c2)ccc2cccc(cc1)c32)(O)[H])[H] |
| SPLASH |
splash10-0a4j-0095000000-795731c980acc11c6b59 |
| Source of Spectrum |
J-55-4896-25 |
| Synonyms |
(+-)-7.beta.,8.alpha.,9.alpha.-trihydroxy-10.beta.-azido-7,8,9,10-tetrahydrobenzo[a]pyrene
(7R,8S,9R,10S)-10-azido-7,8,9,10-tetrahydrobenzo[def]chrysene-7,8,9-triol |
| Wiley ID |
1338713 |
![Benzo[a]pyrene-7,8,9-triol, 10-azido-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)-](/api/spectrum/3SawqDIFPWa/structure.png?h=300&w=458 "Benzo[a]pyrene-7,8,9-triol, 10-azido-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)-")
