12-Acetoxyabietic Acid

Catalog	BBC83905811
CAS	83905-81-1
Synonyms	1-Phenanthrenecarboxylic acid, 6-(acetyloxy)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1α,4aβ,4bα,6α,10aα)]-
IUPAC Name	6-Acetyloxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
Molecular Weight	360.49
Molecular Formula	C22H32O4
Canonical SMILES	CC(C)C1=CC2=CCC3C(C2CC1OC(=O)C)(CCCC3(C)C(=O)O)C
InChI	InChI=1S/C22H32O4/c1-13(2)16-11-15-7-8-19-21(4,9-6-10-22(19,5)20(24)25)17(15)12-18(16)26-14(3)23/h7,11,13,17-19H,6,8-10,12H2,1-5H3,(H,24,25)
InChI Key	FSSCSAJMAPLBRB-UHFFFAOYSA-N
Boiling Point	487.1±45.0 °C
Purity	98%
Density	1.12±0.1 g/ml
Appearance	Solid
pKa	4.58±0.70