ChemSpider 2D Image | (12alpha)-12-Acetoxyabieta-7,13-dien-18-oic acid | C22H32O4

(12α)-12-Acetoxyabieta-7,13-dien-18-oic acid

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID28424365

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(12α)-12-Acetoxyabieta-7,13-dien-18-oic acid [ACD/IUPAC Name]
(12α)-12-Acetoxyabieta-7,13-dien-18-säure [German] [ACD/IUPAC Name]
1-Phenanthrenecarboxylic acid, 6-(acetyloxy)-1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bR,6S,10aR)- [ACD/Index Name]
Acide (12α)-12-acétoxyabiéta-7,13-dién-18-oïque [French] [ACD/IUPAC Name]
[83905-81-1] [RN]
12-Acetoxyabietic acid
83905-81-1 [RN]
MFCD17214877

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 487.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 82.5±6.0 kJ/mol
    Flash Point: 162.7±22.2 °C
    Index of Refraction: 1.540
    Molar Refractivity: 100.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 5.52
    ACD/LogD (pH 5.5): 4.46
    ACD/BCF (pH 5.5): 852.61
    ACD/KOC (pH 5.5): 2315.61
    ACD/LogD (pH 7.4): 2.66
    ACD/BCF (pH 7.4): 13.40
    ACD/KOC (pH 7.4): 36.38
    Polar Surface Area: 64 Å2
    Polarizability: 39.9±0.5 10-24cm3
    Surface Tension: 43.4±5.0 dyne/cm
    Molar Volume: 320.5±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement