trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate

[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate

Also Known As: trans(+)-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene di(-)-methoxyacetate|7,8-Dihydrobenzo(a)pyrene-7,8-diyl ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)acetate (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-|Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7R*,8R*(1R*,2S*,5R*)),2beta,5alpha))-|Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 7,8-dihydrobenzo(a)pyrene-7,8-diyl ester, (1R-(1alpha(7S*,8S*(1R*,2S*,5R*)),2beta,5alpha))-|Aceticacid,((5-methyl-2- -,7,8-dihydrobenzo pyrene-7,8-diylester,(1R-(1alpha(7R*,8R* -|Aceticacid,((5-methyl-2- -,7,8-dihydrobenzo pyrene-7,8-diylester,(1R-(1alpha(7S*,8S* -|[7-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-7,8-dihydrobenzo[a]pyren-8-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate|7,8-Dihydrobenzo[pqr]tetraphene-7,8-diyl bis({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}acetate)

Molecular Formula	C44H54O6
Molecular Weight	678.392 g/mol
LogP	11.8
Topological Polar Surface Area	71.1 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	12
Exact Mass	678.392
Monoisotopic Mass	678.392
Heavy Atoms	50
Complexity	1190.0

Chemical Identifiers

CAS Number	97388-52-8
SMILES	CC1CCC(C(C1)OCC(=O)OC2C=CC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=C5C=CC6=C7C5=C3C=CC7=CC=C6)C(C)C
InChIKey	ZZIKYQVNLSPNCZ-UHFFFAOYSA-N