![Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7.alpha.,8.beta.,8a.beta.,9a.beta.)-](/api/spectrum/KNjBZPZj6u1/structure.png?h=300&w=458 "Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7.alpha.,8.beta.,8a.beta.,9a.beta.)-")
| SpectraBase Compound ID | 8614gcEdSex |
|---|---|
| InChI | InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18-,19?,20?/m0/s1 |
| InChIKey | DQEPMTIXHXSFOR-VCAKUFKGSA-N |
| Mol Weight | 302.33 g/mol |
| Molecular Formula | C20H14O3 |
| Exact Mass | 302.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KNjBZPZj6u1 |
|---|---|
| Name | Benzo[10,11]chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-, (7.alpha.,8.beta.,8a.beta.,9a.beta.)- |
| CAS Registry Number | 60268-86-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H14O3 |
| InChI | InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18-,19?,20?/m0/s1 |
| InChIKey | DQEPMTIXHXSFOR-VCAKUFKGSA-N |
| Molecular Weight | 302.329 g/mol |
| SMILES | O[C@@]1(C2C(c3c4c5c6c(ccc5cc3[C@@]1(O)[H])cccc6cc4)O2)[H] |
| SPLASH | splash10-0zfr-0095000000-6d88291041c9d8d6568d |
| Source of Spectrum | KO-9-100-1 |
| Synonyms | Benzo(10,11)chryseno(3,4-b)oxirene-7,8-diol, 7,8,8a,9a- tetrahydro-, (7alpha,8beta,8abeta,9abeta)- Benzo(a)pyrene, 7,8,9,10-tetrahydro-trans-7,8-dihydroxy-9,10-epoxy-, syn- Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-9,10-epoxy, syn- BPDE-I BPDE-II syN-benzo(a)pyrene-7,8-dihydrodiol-9,10-oxide syn-bp-7,8-dihydrodiol-9,10-oxide SYN-BPDE trans-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene, syn trans-7,8-diol-9,10-epoxide-benzo[a]pyrene trans-syN-benzo(a)pyrene-7,8-diol-9,10-oxide |
| Wiley ID | 1305043 |