| SpectraBase Spectrum ID |
1Q8cJRstHeO |
| Name |
Benzo[a]pyrene-7,8,9-triol, 10-amino-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)- |
| CAS Registry Number |
128084-01-5 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H17NO3 |
| InChI |
InChI=1S/C20H17NO3/c21-18-12-4-2-1-3-10(12)11-7-5-9-6-8-13(22)16-14(9)15(11)17(18)20(24)19(16)23/h5-8,22-24H,1-4,21H2 |
| InChIKey |
WNJPSXPXQWQUKA-UHFFFAOYSA-N |
| Molecular Weight |
319.360 g/mol |
| SMILES |
Oc1c(c2c(ccc3c2c2c1c(c1c(c2cc3)CCCC1)N)O)O |
| SPLASH |
splash10-001i-0091000000-6e4d10d45985eb4cfa99 |
| Source of Spectrum |
J-55-4897-28 |
| Synonyms |
(+-)-7.beta.,8.alpha.,9.alpha.-trihydroxy-10.beta.-amino-7,8,9,10-tetrahydro-benzo[a]pyrene
6-Amino-7,8,9,10-tetrahydrobenzo[def]chrysene-3,4,5-triol |
| Wiley ID |
1319494 |
![Benzo[a]pyrene-7,8,9-triol, 10-amino-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)-](/api/spectrum/1Q8cJRstHeO/structure.png?h=300&w=458 "Benzo[a]pyrene-7,8,9-triol, 10-amino-7,8,9,10-tetrahydro-, (7.alpha.,8.beta.,9.beta.,10.alpha.)-(.+-.)-")
