Products 66212-61-1
CAS 66212-61-1 is the registry number for rac-anti-BPDE-III. Offered by: TRC. Available pack sizes: 25mg.
(3S,4R,5R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol (CAS 66212-61-1) is a chemical compound with the molecular formula C20H14O3 and a molecular weight of 302.3 g/mol. IUPAC name: (3S,4R,5R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol. InChIKey: VAHKPYXMVVSHGS-JWQSRSOLSA-N.
| Molecular formula | C20H14O3 |
|---|---|
| Molecular weight | 302.3 g/mol |
| IUPAC name | (3S,4R,5R)-6-oxahexacyclo[11.6.2.02,8.05,7.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene-3,4-diol |
| InChIKey | VAHKPYXMVVSHGS-JWQSRSOLSA-N |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@@H]6C5O6)O)O)C=C2 |
Computed by PubChem (NCBI)
Synonyms:
Bpde-III, Benzo(a)pyrene diolepoxide III, 9r,10t-dihydroxy-7c,8c-oxy-7,8,9,10-tetrahydrobenzeno(a)pyrene, Benzo(a)pyrene-9,10-diol-7,8-epoxide, anti, Bpde III, rac-anti-BPDE-III, (+-)-anti-BPDE-III, 9r,10t-Dihydroxy-7c,8c-oxy-7,8,9,10-tetrahydrobenzo(a)pyrene, (+-)-9beta,10alpha-Dihydroxy-7beta,8beta-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene