ChemSpider 2D Image | (3aS,6S,7E,9S,10E,14E,15aS)-6-Hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl acetate | C22H30O5

(3aS,6S,7E,9S,10E,14E,15aS)-6-Hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl acetate

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID76712497

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,6S,7E,9S,10E,14E,15aS)-6-Hydroxy-6,10,14-trimethyl-3-methylen-2-oxo-2,3,3a,4,5,6,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl-acetat [German] [ACD/IUPAC Name]
(3aS,6S,7E,9S,10E,14E,15aS)-6-Hydroxy-6,10,14-trimethyl-3-methylene-2-oxo-2,3,3a,4,5,6,9,12,13,15a-decahydrocyclotetradeca[b]furan-9-yl acetate [ACD/IUPAC Name]
Acétate de (3aS,6S,7E,9S,10E,14E,15aS)-6-hydroxy-6,10,14-triméthyl-3-méthylène-2-oxo-2,3,3a,4,5,6,9,12,13,15a-décahydrocyclotétradéca[b]furan-9-yle [French] [ACD/IUPAC Name]
Cyclotetradeca[b]furan-2(3H)-one, 9-(acetyloxy)-3a,4,5,6,9,12,13,15a-octahydro-6-hydroxy-6,10,14-trimethyl-3-methylene-, (3aS,6S,7E,9S,10E,14E,15aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 535.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.3±6.0 kJ/mol
Flash Point: 180.8±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 103.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 286.20
ACD/KOC (pH 5.5): 1995.65
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 286.20
ACD/KOC (pH 7.4): 1995.65
Polar Surface Area: 73 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 332.8±5.0 cm3

Click to predict properties on the Chemicalize site


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