Found 4 results

Search term: PBYHWKJRJDNBLE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S,9E)-3-Hydroxy-6-isopropenyl-9-methyl-15-oxatricyclo[11.3.2.0~5,16~]octadeca-1(16),2,4,9,13(18)-pentaen-14-one | C21H24O3

(6S,9E)-3-Hydroxy-6-isopropenyl-9-methyl-15-oxatricyclo[11.3.2.05,16]octadeca-1(16),2,4,9,13(18)-pentaen-14-one

  • Molecular FormulaC21H24O3
  • Average mass324.414 Da
  • Monoisotopic mass324.172546 Da
  • ChemSpider ID28283218

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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(6S,9E)-3-Hydroxy-6-isopropenyl-9-methyl-15-oxatricyclo[11.3.2.05,16]octadeca-1(16),2,4,9,13(18)-pentaen-14-on [German] [ACD/IUPAC Name]
(6S,9E)-3-Hydroxy-6-isopropenyl-9-methyl-15-oxatricyclo[11.3.2.05,16]octadeca-1(16),2,4,9,13(18)-pentaen-14-one [ACD/IUPAC Name]
(6S,9E)-3-Hydroxy-6-isopropényl-9-méthyl-15-oxatricyclo[11.3.2.05,16]octadéca-1(16),2,4,9,13(18)-pentaén-14-one [French] [ACD/IUPAC Name]
4H-14,3-Ethanylylidene-2H-1-benzoxacyclododecin-2-one, 5,8,9,10-tetrahydro-12-hydroxy-7-methyl-10-(1-methylethenyl)-, (6E,10S)- [ACD/Index Name]
floresolide B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 508.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 207.7±22.9 °C
Index of Refraction: 1.591
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5299.68
ACD/KOC (pH 5.5): 16121.08
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5246.92
ACD/KOC (pH 7.4): 15960.58
Polar Surface Area: 47 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 279.2±5.0 cm3

Click to predict properties on the Chemicalize site


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