Found 1 result

Search term: 78436362 (Found by CSID)
ChemSpider 2D Image | (4E,4'E)-1,1'-[(1R,3S,7R,8R,10S,14R)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.0~3,8~.0~4,14~.0~7,11~]tetradeca-5,12-diene-5,12-diyl]bis(4-hexen-1-one) | C28H36O8

(4E,4'E)-1,1'-[(1R,3S,7R,8R,10S,14R)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradeca-5,12-diene-5,12-diyl]bis(4-hexen-1-one)

  • Molecular FormulaC28H36O8
  • Average mass500.581 Da
  • Monoisotopic mass500.241028 Da
  • ChemSpider ID78436362

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

(4E,4'E)-1,1'-[(1R,3S,7R,8R,10S,14R)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradeca-5,12-dien-5,12-diyl]bis(4-hexen-1-on) [German] [ACD/IUPAC Name]
(4E,4'E)-1,1'-[(1R,3S,7R,8R,10S,14R)-1,6,8,13-Tetrahydroxy-3,7,10,14-tetramethyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tetradeca-5,12-diene-5,12-diyl]bis(4-hexen-1-one) [ACD/IUPAC Name]
(4E,4'E)-1,1'-[(1R,3S,7R,8R,10S,14R)-1,6,8,13-Tétrahydroxy-3,7,10,14-tétraméthyl-2,9-dioxapentacyclo[8.4.0.03,8.04,14.07,11]tétradéca-5,12-diène-5,12-diyl]bis(4-hexén-1-one) [French] [ACD/IUPAC Name]
tetrahydrotrichodimerol

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

Density: 1.4±0.1 g/cm3
Boiling Point: 674.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±6.0 kJ/mol
Flash Point: 221.6±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 130.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 9.38
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 400.88
ACD/KOC (pH 5.5): 941.78
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 9.18
ACD/KOC (pH 7.4): 21.57
Polar Surface Area: 134 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 351.3±3.0 cm3

Click to predict properties on the Chemicalize site


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