ChemSpider 2D Image | Carnosol | C20H26O4

Carnosol

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID52083119

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(10ξ)-11,12-Dihydroxy-7,20-epoxyabieta-8,11,13-trien-20-on [German] [ACD/IUPAC Name]
(10ξ)-11,12-Dihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one [ACD/IUPAC Name]
(10ξ)-11,12-Dihydroxy-7,20-époxyabiéta-8,11,13-trién-20-one [French] [ACD/IUPAC Name]
2H-9,4a-(Epoxymethano)phenanthren-12-one, 1,3,4,9,10,10a-hexahydro-5,6-dihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (10aS)- [ACD/Index Name]
5957-80-2 [RN]
Carnosol [Wiki]

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

483O455CKD [DBID]
UNII:483O455CKD [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.9±3.0 kJ/mol
Flash Point: 187.0±23.6 °C
Index of Refraction: 1.607
Molar Refractivity: 90.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 502.23
ACD/KOC (pH 5.5): 2984.40
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 485.86
ACD/KOC (pH 7.4): 2887.09
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 261.6±5.0 cm3

Click to predict properties on the Chemicalize site


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