Benzo(a)pyrene-7-beta,8-alpha,9-alpha,10-alpha-tetraol
[CAS# 61490-68-4]

Identification

• Name: Benzo(a)pyrene-7-beta,8-alpha,9-alpha,10-alpha-tetraol
• Synonyms: 7-Beta,8-Alpha,9-Beta,10-Beta-Tetrahydroxy-7,8,9,10-Tetrahydrobenzo(A)Pyrene; 7/8,9,10-Tetrahydroxytetrahydrobenzo(A)Pyrene; Benzo(A)Pyrene, 7-Beta,8-Alpha,9-Alpha,10-Alpha-Tetrahydroxy-7,8,9,10-Tetrahydro
• Molecular Formula: C₂₀H₁₆O₄
• Molecular Weight: 320.34
• CAS Registry Number: 61490-68-4
• SMILES: [C@H]5(C1=C(C=C4C2=C1C=CC3=C2C(=CC=C3)C=C4)[C@H]([C@@H]([C@@H]5O)O)O)O
• InChI: 1S/C20H16O4/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)18(22)20(24)19(17)23/h1-8,17-24H/t17-,18-,19+,20-/m1/s1
• InChIKey: KWFVZAJQUSRMCC-YSTOQKLRSA-N