ChemSpider 2D Image | (7beta)-11,12,16-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one | C20H26O5

(7β)-11,12,16-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID23339135

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(7β)-11,12,16-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-on [German] [ACD/IUPAC Name]
(7β)-11,12,16-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one [ACD/IUPAC Name]
(7β)-11,12,16-Trihydroxy-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-7-(2-hydroxy-1-methylethyl)-1,1-dimethyl-, (4aR,9S,10aS)- [ACD/Index Name]
16-hydroxycarnosol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL491307/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 206.4±23.6 °C
Index of Refraction: 1.627
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.40
ACD/KOC (pH 5.5): 482.57
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.59
ACD/KOC (pH 7.4): 460.41
Polar Surface Area: 87 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 259.0±5.0 cm3

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