Found 1 result

Search term: (+)-corvol ether B (Found by synonym)
ChemSpider 2D Image | (1R,4S,5R,8R,10S)-10-Isopropyl-4,8-dimethyl-9-oxatricyclo[6.2.1.0~1,5~]undecane | C15H26O

(1R,4S,5R,8R,10S)-10-Isopropyl-4,8-dimethyl-9-oxatricyclo[6.2.1.01,5]undecane

  • Molecular FormulaC15H26O
  • Average mass222.366 Da
  • Monoisotopic mass222.198364 Da
  • ChemSpider ID64808719

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,4S,5R,8R,10S)-10-Isopropyl-4,8-dimethyl-9-oxatricyclo[6.2.1.01,5]undecan [German] [ACD/IUPAC Name]
(1R,4S,5R,8R,10S)-10-Isopropyl-4,8-dimethyl-9-oxatricyclo[6.2.1.01,5]undecane [ACD/IUPAC Name]
(1R,4S,5R,8R,10S)-10-Isopropyl-4,8-diméthyl-9-oxatricyclo[6.2.1.01,5]undécane [French] [ACD/IUPAC Name]
3H-3,8a-Methano-1H-cyclopent[c]oxepin, hexahydro-3,6-dimethyl-1-(1-methylethyl)-, (1S,3R,5aR,6S,8aR)- [ACD/Index Name]
(+)-corvol ether B
(1S,3R,5aR,6S,8aR)-3,6-dimethyl-1-(propan-2-yl)hexahydro-1H,3H-3,8a-methanocyclopenta[c]oxepine
  • Miscellaneous

    • Chemical Class:

      A tricyclic sesquiterpenoid with formula C<smallsub>15</smallsub>H<smallsub>26</smallsub>O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from <ital>Kitasatospora setae</ital>. ChEBI CHEBI:137536
      A tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora ; setae. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:137536
      A tricyclic sesquiterpenoid with formula C15H26O which is biosynthesised from farnesyl diphosphate by a sesquiterpene cyclase enzyme from Kitasatospora setae. ChEBI CHEBI:137536

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

Density: 1.0±0.1 g/cm3
Boiling Point: 262.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.0±3.0 kJ/mol
Flash Point: 97.9±15.3 °C
Index of Refraction: 1.497
Molar Refractivity: 67.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 539.75
ACD/KOC (pH 5.5): 3142.74
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 539.75
ACD/KOC (pH 7.4): 3142.74
Polar Surface Area: 9 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 32.5±5.0 dyne/cm
Molar Volume: 229.2±5.0 cm3

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