2602-46-2 Purity
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Specification
The molecular formula is C42H54O2.
The synonym is 9-Anthracenecarboxylic acid cholesteryl ester.
The PubChem CID is 10289946.
It was created on October 25, 2006.
The molecular weight is 590.9 g/mol.
The IUPAC name is [(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.
The InChIKey is FMGWOPYZVAWWNP-SKWQCYOWSA-N.
The canonical SMILES is CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=C6C=CC=CC6=CC7=CC=CC=C75)C)C.
The CAS number is 2641-40-9.
The XLogP3-AA value is 13.3.