ChemSpider 2D Image | (1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-8-Ethyl-4-hydroxy-1-methoxy-3,5b,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one | C28H46O4

(1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-8-Ethyl-4-hydroxy-1-methoxy-3,5b,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one

  • Molecular FormulaC28H46O4
  • Average mass446.662 Da
  • Monoisotopic mass446.339600 Da
  • ChemSpider ID35516760

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-8-Ethyl-4-hydroxy-1-methoxy-3,5b,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-on [German] [ACD/IUPAC Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-8-Ethyl-4-hydroxy-1-methoxy-3,5b,8,11a,13a-pentamethyloctadecahydrochryseno[1,2-c]furan-13(1H)-one [ACD/IUPAC Name]
(1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-8-Éthyl-4-hydroxy-1-méthoxy-3,5b,8,11a,13a-pentaméthyloctadécahydrochryséno[1,2-c]furan-13(1H)-one [French] [ACD/IUPAC Name]
Chryseno[1,2-c]furan-13(1H)-one, 8-ethyloctadecahydro-4-hydroxy-1-methoxy-3,5b,8,11a,13a-pentamethyl-, (1R,3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)- [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: 533.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.1±6.0 kJ/mol
Flash Point: 166.8±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 126.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22007.84
ACD/KOC (pH 5.5): 44668.66
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22007.84
ACD/KOC (pH 7.4): 44668.66
Polar Surface Area: 56 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 405.8±5.0 cm3

Click to predict properties on the Chemicalize site


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