Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1346
	Name:	(1S,4aR,10aS)-1,4a-dimethyl-6-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Dehydroabietine
	Labels:
	CAS:	5323-56-8
	InChi Code:	InChI=1S/C19H28/c1-13(2)16-8-7-15-9-10-17-14(3)6-5-11-19(17,4)18(15)12-16/h7-8,12-14,17H,5-6,9-11H2,1-4H3/t14-,17-,19+/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
0.590825461	experimental value
1.318	Tab2.Model_5: Metab. biotransf. fish (Training set)