ChemSpider 2D Image | epoxyphomalin C | C22H32O6

epoxyphomalin C

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID27022530

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,4aR,5S,8aR)-1,4a,6-Trimethyl-5-{[(1S,2S,3S,5R,6R)-2,3,5-trihydroxy-4-methylen-7-oxabicyclo[4.1.0]hept-1-yl]methyl}-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalincarbonsäure [German] [ACD/IUPAC Name]
(1R,4aR,5S,8aR)-1,4a,6-Trimethyl-5-{[(1S,2S,3S,5R,6R)-2,3,5-trihydroxy-4-methylene-7-oxabicyclo[4.1.0]hept-1-yl]methyl}-1,2,3,4,4a,5,8,8a-octahydro-1-naphthalenecarboxylic acid [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 1,2,3,4,4a,5,8,8a-octahydro-1,4a,6-trimethyl-5-[[(1S,2S,3S,5R,6R)-2,3,5-trihydroxy-4-methylene-7-oxabicyclo[4.1.0]hept-1-yl]methyl]-, (1R,4aR,5S,8aR)- [ACD/Index Name]
Acide (1R,4aR,5S,8aR)-1,4a,6-triméthyl-5-{[(1S,2S,3S,5R,6R)-2,3,5-trihydroxy-4-méthylène-7-oxabicyclo[4.1.0]hept-1-yl]méthyl}-1,2,3,4,4a,5,8,8a-octahydro-1-naphtalènecarboxylique [French] [ACD/IUPAC Name]
Epoxypholamin C, (rel)-
epoxyphomalin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 580.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.7±6.0 kJ/mol
Flash Point: 199.8±23.6 °C
Index of Refraction: 1.601
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.60
ACD/BCF (pH 5.5): 34.10
ACD/KOC (pH 5.5): 244.86
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.87
Polar Surface Area: 111 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 300.4±5.0 cm3

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