(+)-Dehydroabietic Acid

Catalog	BBC1231750
CAS	1231-75-0
Structure
Synonyms	Rac-abieta-8,11,13-trien-18-oic acid
IUPAC Name	(1R,4aS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
Molecular Weight	300.44
Molecular Formula	C20H28O2
Canonical SMILES	CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@H]3CC2)(C)C(=O)O)C
InChI	InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19+,20+/m0/s1
InChI Key	NFWKVWVWBFBAOV-DFQSSKMNSA-N
Boiling Point	425.1±34.0 °C
Melting Point	166-168 °C
Purity	98%
Density	1.058±0.06 g/ml
Appearance	Solid
Storage	room temperature
pKa	4.66±0.40