566-65-4 Purity
95%
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The molecular formula is C27H42O.
Some synonyms include Cholesta-1,4-dien-3-one and cholest-dien-3-one.
It was first created on August 8, 2005.
The molecular weight is 382.6 g/mol.
The IUPAC Name is (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one.
The Canonical SMILES is CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C).
The InChIKey is AARSTNLEOKIRTL-GYKMGIIDSA-N.
The XLogP3-AA value is 8.7.
It has 0 hydrogen bond donor counts.
The complexity value is 670.