ChemSpider 2D Image | (+)-alpha-santalene | C15H24

(+)-α-santalene

  • Molecular FormulaC15H24
  • Average mass204.351 Da
  • Monoisotopic mass204.187805 Da
  • ChemSpider ID26332319

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(+)-α-santalene
(1S,2R,4S,6R,7R)-1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)tricyclo[2.2.1.02,6]heptan [German] [ACD/IUPAC Name]
(1S,2R,4S,6R,7R)-1,7-Dimethyl-7-(4-methyl-3-penten-1-yl)tricyclo[2.2.1.02,6]heptane [ACD/IUPAC Name]
(1S,2R,4S,6R,7R)-1,7-Diméthyl-7-(4-méthyl-3-pentén-1-yl)tricyclo[2.2.1.02,6]heptane [French] [ACD/IUPAC Name]
Tricyclo[2.2.1.02,6]heptane, 1,7-dimethyl-7-(4-methyl-3-penten-1-yl)-, (2R,6R,7R)- [ACD/Index Name]
(1S,2R,4S,6R,7R)-1,7-dimethyl-7-(4-methylpent-3-en-1-yl)tricyclo[2.2.1.0(2,6)]heptane
α-santalene
  • Miscellaneous

    • Chemical Class:

      A sesquiterpene consisting of a tricyclo[2.2.1.0(2,6)]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1S,2R,4S,6R,7R diaster eoisomer). ChEBI CHEBI:61677
      A sesquiterpene consisting of a tricyclo[2.2.1.0<smallsup>2,6</smallsup>]heptane skeleton substituted by methyl groups at positions 1 and 7 and by a 4-methylpent-3-en-1-yl group at position 7 (the 1<s tereo>S</stereo>,2<stereo>R</stereo>,4<stereo>S</stereo>,6<stereo>R</stereo>,7<stereo>R</stereo> diastereoisomer). ChEBI CHEBI:61677

    • Compound Source:

      Linum usitatissimum PlantCyc CPD-11377
      santalene biosynthesis I PlantCyc CPD-11377, CPD-11377
      santalene biosynthesis II PlantCyc CPD-11377
      Solanum pennellii PlantCyc CPD-11377

    • Bio Activity:

      (2E,6E)-farnesyl diphosphate -> (+)-alpha-santalene + diphosphate PlantCyc CPD-11377
      (2Z,6Z)-farnesyl diphosphate -> (+)-alpha-santalene + diphosphate PlantCyc CPD-11377, CPD-11377

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

Density: 0.9±0.1 g/cm3
Boiling Point: 247.6±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 46.5±0.8 kJ/mol
Flash Point: 73.8±14.8 °C
Index of Refraction: 1.516
Molar Refractivity: 65.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15868.36
ACD/KOC (pH 5.5): 35345.04
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15868.36
ACD/KOC (pH 7.4): 35345.04
Polar Surface Area: 0 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 216.4±3.0 cm3

Click to predict properties on the Chemicalize site


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