ChemSpider 2D Image | 20-methoxy-fijianolide A | C31H44O8

20-methoxy-fijianolide A

  • Molecular FormulaC31H44O8
  • Average mass544.676 Da
  • Monoisotopic mass544.303589 Da
  • ChemSpider ID28489932

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3Z,7S,8R,10R,11S,12S,16S,18R)-11,12-Dihydroxy-8-methoxy-16-methyl-8-{(E)-2-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]vinyl}-14-methylen-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-on [German] [ACD/IUPAC Name]
(1R,3Z,7S,8R,10R,11S,12S,16S,18R)-11,12-Dihydroxy-8-methoxy-16-methyl-8-{(E)-2-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]vinyl}-14-methylene-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dien-5-one [ACD/IUPAC Name]
(1R,3Z,7S,8R,10R,11S,12S,16S,18R)-11,12-Dihydroxy-8-méthoxy-16-méthyl-8-{(E)-2-[(2S)-4-méthyl-3,6-dihydro-2H-pyran-2-yl]vinyl}-14-méthylène-6,9,22-trioxatricyclo[16.3.1.17,10]tricosa-3,20-dién-5-one [French] [ACD/IUPAC Name]
20-methoxy-fijianolide A
20-methoxyfijianolide A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 702.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 222.4±26.4 °C
Index of Refraction: 1.564
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 333.58
ACD/KOC (pH 5.5): 2226.96
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 333.58
ACD/KOC (pH 7.4): 2226.96
Polar Surface Area: 104 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 455.1±5.0 cm3

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