AC1MQ41Y

[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate

Also Known As: Cholesteryl 9-anthracenecarboxylate|9-Anthracenecarboxylic acid cholesteryl ester|[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate|[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate|[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate

Molecular Formula	C42H54O2
Molecular Weight	590.41235 g/mol
LogP	11.5598
Topological Polar Surface Area	26.3 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	2
Rotatable Bonds	7
Exact Mass	590.41235
Monoisotopic Mass	590.41235
Heavy Atoms	44
Complexity	1510.5432

Chemical Identifiers

CAS Number	2641-40-9
SMILES	CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=C6C=CC=CC6=CC7=CC=CC=C75)C)C