ChemSpider 2D Image | Farnesiferol C | C24H30O4

Farnesiferol C

  • Molecular FormulaC24H30O4
  • Average mass382.493 Da
  • Monoisotopic mass382.214417 Da
  • ChemSpider ID22914057
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2H-1-Benzopyran-2-one, 7-[[(2E)-3-methyl-5-[(2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]-2-penten-1-yl]oxy]- [ACD/Index Name]
512-17-4 [RN]
7-({(2E)-3-Methyl-5-[(2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]-2-penten-1-yl}oxy)-2H-chromen-2-on [German] [ACD/IUPAC Name]
7-({(2E)-3-Methyl-5-[(2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]-2-penten-1-yl}oxy)-2H-chromen-2-one [ACD/IUPAC Name]
7-({(2E)-3-Méthyl-5-[(2R,4R)-1,3,3-triméthyl-7-oxabicyclo[2.2.1]hept-2-yl]-2-pentén-1-yl}oxy)-2H-chromén-2-one [French] [ACD/IUPAC Name]
7-({(2E)-3-methyl-5-[(2R,4R)-1,3,3-trimethyl-7-oxabicyclo[2.2.1]hept-2-yl]pent-2-en-1-yl}oxy)-2H-chromen-2-one
Farnesiferol C
7-[(E)-3-Methyl-5-((1R,2R)-1,3,3-trimethyl-7-oxa-bicyclo[2.2.1]hept-2-yl)-pent-2-enyloxy]-chromen-2-one

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

56P18T724F [DBID]
UNII:56P18T724F [DBID]
UNII-56P18T724F [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 519.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 224.5±30.2 °C
Index of Refraction: 1.548
Molar Refractivity: 108.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4785.97
ACD/KOC (pH 5.5): 14987.03
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4785.97
ACD/KOC (pH 7.4): 14987.03
Polar Surface Area: 45 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 342.5±3.0 cm3

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