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Search term: 23339133 (Found by CSID)
ChemSpider 2D Image | isorosmanol | C20H26O5

isorosmanol

  • Molecular FormulaC20H26O5
  • Average mass346.417 Da
  • Monoisotopic mass346.178009 Da
  • ChemSpider ID23339133

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6α,7β)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-on [German] [ACD/IUPAC Name]
(6α,7β)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one [ACD/IUPAC Name]
(6α,7β)-6,11,12-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-5,6,10-trihydroxy-1,1-dimethyl-7-(1-methylethyl)-, (4aR,9R,10R,10aS)- [ACD/Index Name]
93780-80-4 [RN]
isorosmanol
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494659/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 569.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 203.8±23.6 °C
Index of Refraction: 1.625
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 101.34
ACD/KOC (pH 5.5): 949.03
ACD/LogD (pH 7.4): 2.92
ACD/BCF (pH 7.4): 97.09
ACD/KOC (pH 7.4): 909.25
Polar Surface Area: 87 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 259.6±5.0 cm3

Click to predict properties on the Chemicalize site


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