ChemSpider 2D Image | (1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-Dihydroxy-9-methoxy-6,8-dimethyl-2-decanyl]-2,17-dihydroxy-3,5,7-trimethyl-9,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-one | C33H54O8

(1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-Dihydroxy-9-methoxy-6,8-dimethyl-2-decanyl]-2,17-dihydroxy-3,5,7-trimethyl-9,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-one

  • Molecular FormulaC33H54O8
  • Average mass578.777 Da
  • Monoisotopic mass578.381897 Da
  • ChemSpider ID8206677

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 12 defined stereocentres

More details:

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

(1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-Dihydroxy-9-methoxy-6,8-dimethyl-2-decanyl]-2,17-dihydroxy-3,5,7-trimethyl-9,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-on [German] [ACD/IUPAC Name]
(1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-Dihydroxy-9-methoxy-6,8-dimethyl-2-decanyl]-2,17-dihydroxy-3,5,7-trimethyl-9,19-dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-one [ACD/IUPAC Name]
(1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)-10-[(2S)-5,7-Dihydroxy-9-méthoxy-6,8-diméthyl-2-décanyl]-2,17-dihydroxy-3,5,7-triméthyl-9,19-dioxabicyclo[16.1.0]nonadéca-4,6,12,14-tétraén-8-one [French] [ACD/IUPAC Name]
9,19-Dioxabicyclo[16.1.0]nonadeca-4,6,12,14-tetraen-8-one, 10-[(1S)-4,6-dihydroxy-8-methoxy-1,5,7-trimethylnonyl]-2,17-dihydroxy-3,5,7-trimethyl-, (1R,2R,3R,4E,6E,10S,12E,14E,17R,18R)- [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: 749.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.7±6.0 kJ/mol
Flash Point: 230.4±26.4 °C
Index of Refraction: 1.505
Molar Refractivity: 160.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 620.48
ACD/KOC (pH 5.5): 3472.45
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 620.48
ACD/KOC (pH 7.4): 3472.45
Polar Surface Area: 129 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 540.2±3.0 cm3

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