ChemSpider 2D Image | 10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylenetetradecahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E)-8-methyl-2,4,6-decatrienoate | C38H54O7

10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylenetetradecahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E)-8-methyl-2,4,6-decatrienoate

  • Molecular FormulaC38H54O7
  • Average mass622.831 Da
  • Monoisotopic mass622.386963 Da
  • ChemSpider ID78444271

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E)-8-Méthyl-2,4,6-décatriénoate de 10-hydroxy-8-[(4-hydroxy-5,6-diméthyl-2-oxo-2H-pyran-3-yl)méthyl]-4,4,7a,11b-tétraméthyl-9-méthylènetétradécahydronaphto[2,1-b]oxépin-3-yle [French] [ACD/IUPAC Name]
10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylenetetradecahydronaphtho[2,1-b]oxepin-3-yl (2E,4E,6E)-8-methyl-2,4,6-decatrienoate [ACD/IUPAC Name]
10-Hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylentetradecahydronaphtho[2,1-b]oxepin-3-yl-(2E,4E,6E)-8-methyl-2,4,6-decatrienoat [German] [ACD/IUPAC Name]
2,4,6-Decatrienoic acid, 8-methyl-, tetradecahydro-10-hydroxy-8-[(4-hydroxy-5,6-dimethyl-2-oxo-2H-pyran-3-yl)methyl]-4,4,7a,11b-tetramethyl-9-methylenenaphth[2,1-b]oxepin-3-yl ester, (2E,4E,6E)- [ACD/Index Name]
NF00659A2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 702.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.5±6.0 kJ/mol
Flash Point: 208.2±26.4 °C
Index of Refraction: 1.561
Molar Refractivity: 176.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 7.27
ACD/BCF (pH 5.5): 177759.23
ACD/KOC (pH 5.5): 177712.59
ACD/LogD (pH 7.4): 5.84
ACD/BCF (pH 7.4): 6664.62
ACD/KOC (pH 7.4): 6662.87
Polar Surface Area: 102 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 544.8±5.0 cm3

Click to predict properties on the Chemicalize site


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