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Search term: 62702347 (Found by CSID)
ChemSpider 2D Image | thalianatriene | C25H40

thalianatriene

  • Molecular FormulaC25H40
  • Average mass340.585 Da
  • Monoisotopic mass340.312988 Da
  • ChemSpider ID62702347

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,4aS,8E,12E,13aS,14aS)-1-Isopropyl-3a,9,13-trimethyl-5-methylen-1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tetradecahydrocycloundeca[f]inden [German] [ACD/IUPAC Name]
(1R,3aR,4aS,8E,12E,13aS,14aS)-1-Isopropyl-3a,9,13-trimethyl-5-methylene-1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tetradecahydrocycloundeca[f]indene [ACD/IUPAC Name]
(1R,3aR,4aS,8E,12E,13aS,14aS)-1-Isopropyl-3a,9,13-triméthyl-5-méthylène-1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tétradécahydrocycloundéca[f]indène [French] [ACD/IUPAC Name]
Cycloundec[f]indene, 1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tetradecahydro-3a,9,13-trimethyl-5-methylene-1-(1-methylethyl)-, (1R,3aR,4aS,8E,12E,13aS,14aS)- [ACD/Index Name]
thalianatriene
(+)-thalianatriene
(1R,3aR,4aS,8E,12E,13aS,14aS)-3a,9,13-trimethyl-5-methylidene-1-(propan-2-yl)-1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tetradecahydrocycloundeca[f]indene
  • Miscellaneous

    • Chemical Class:

      A sesterterpene with formula C25H40 that is produced by a sesterterpene synthase gene from the plant Arabidopsis thaliana. ChEBI CHEBI:172937

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

Density: 0.9±0.1 g/cm3
Boiling Point: 430.3±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 65.9±0.8 kJ/mol
Flash Point: 208.1±18.0 °C
Index of Refraction: 1.513
Molar Refractivity: 110.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 9.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 6085603.50
ACD/LogD (pH 7.4): 9.94
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 6085603.50
Polar Surface Area: 0 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 33.3±5.0 dyne/cm
Molar Volume: 367.3±5.0 cm3

Click to predict properties on the Chemicalize site


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