1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-,(1R,4aS,10aS)- (1231-75-0)

The (+)-Dehydroabietic acid, with the CAS registry number 1231-75-0, is also known as 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-. This chemical's molecular formula is C₂₀H₂₈O₂ and molecular weight is 300.44. Its systematic name is called abieta-8,11,13-trien-18-oic acid.

Physical properties about (+)-Dehydroabietic acid re: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.45; (4)ACD/LogD (pH 7.4): 3.65; (5)ACD/BCF (pH 5.5): 4944.99; (6)ACD/BCF (pH 7.4): 77.97; (7)ACD/KOC (pH 5.5): 8517.21; (8)ACD/KOC (pH 7.4): 134.29; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 89.05 cm³; (14)Molar Volume: 283.7 cm³; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.058 g/cm³; (17)Melting Point: 166-168 °C; (18)Flash Point: 202.5 °C; (19)Enthalpy of Vaporization: 71.65 kJ/mol; (20)Boiling Point: 425.1 °C at 760 mmHg; (21)Vapour Pressure: 5.53E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@]3([C@@H]2CCc1c(ccc(c1)C(C)C)[C@@]2(C)CCC3)C
(2)InChI: InChI=1/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-/m1/s1
(3)InChIKey: NFWKVWVWBFBAOV-MISYRCLQBA
(4)Std. 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-/m1/s1
(5)Std. InChIKey: NFWKVWVWBFBAOV-MISYRCLQSA-N