ChemSpider 2D Image | 3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,5',6'-tetrahydro-12',13',20'-trinor-b,b-caroten-19,11-olide | C39H50O7

3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,5',6'-tetrahydro-12',13',20'-trinor-b,b-caroten-19,11-olide

  • Molecular FormulaC39H50O7
  • Average mass630.810 Da
  • Monoisotopic mass630.355652 Da
  • ChemSpider ID5018401

  • Double-bond stereo - Double-bond stereo

More details:

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

2(5H)-Furanone, 5-[(2E,4E,6E,8E)-11-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-2,9-dimethyl-2,4,6,8,10-undecapentaen-1-ylidene]-3-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hep t-1-yl)ethenyl]-, (5Z)- [ACD/Index Name]
2(5H)-furanone, 5-[(2E,4E,6E,8E)-11-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-2,9-dimethyl-2,4,6,8,10-undecapentaen-1-ylidene]-3-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)ethenyl]-, (5Z)-
3'-Acetoxy-5,6-epoxy-3,5'-dihydroxy-6',7'-didehydro-5,6,5',6'-tetrahydro-12',13',20'-trinor-b,b-caroten-19,11-olide
3-hydroxy-4-[(3E,5E,7E,9E,11Z)-11-{4-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)ethenyl]-5-oxofuran-2(5H)-ylidene}-3,10-dimethylundeca-1,3,5,7,9-pentaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
3-Hydroxy-4-[(3E,5E,7E,9E,11Z)-11-{4-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanyliden}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-yliden]-3,5,5-trimethylcyclo hexyl-acetat [German] [ACD/IUPAC Name]
3-Hydroxy-4-[(3E,5E,7E,9E,11Z)-11-{4-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidene}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-ylidene]-3,5,5-trimethylcyc lohexyl acetate [ACD/IUPAC Name]
3-Hydroxy-4-[(3E,5E,7E,9E,11Z)-11-{4-[(E)-2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxofuran-2(5H)-ylidene}-3,10-dimethylundeca-1,3,5,7,9-pentaen-1-ylidene]-3,5,5-trimethylcyclohexyl acetate
Acétate de 3-hydroxy-4-[(3E,5E,7E,9E,11Z)-11-{4-[(E)-2-(4-hydroxy-2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidène}-3,10-diméthyl-1,3,5,7,9-undécapentaén-1-ylidène]-3,5,5-t riméthylcyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 230.7±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10903.43
ACD/KOC (pH 5.5): 27019.47
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10903.43
ACD/KOC (pH 7.4): 27019.47
Polar Surface Area: 106 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 543.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement