Found 1 result

Search term: cycloaraneosene (Found by synonym)

ChemSpider 2D Image | (1R,3aR,9aS,10aR)-7-Isopropyl-1,9a-dimethyl-4-methylene-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene | C20H32

(1R,3aR,9aS,10aR)-7-Isopropyl-1,9a-dimethyl-4-methylene-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene

  • Molecular FormulaC20H32
  • Average mass272.468 Da
  • Monoisotopic mass272.250397 Da
  • ChemSpider ID64808223
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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(1R,3aR,9aS,10aR)-7-Isopropyl-1,9a-dimethyl-4-methylen-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulen [German] [ACD/IUPAC Name]
(1R,3aR,9aS,10aR)-7-Isopropyl-1,9a-dimethyl-4-methylene-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d][8]annulene [ACD/IUPAC Name]
(1R,3aR,9aS,10aR)-7-Isopropyl-1,9a-diméthyl-4-méthylène-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodécahydrodicyclopenta[a,d][8]annulène [French] [ACD/IUPAC Name]
Dicyclopenta[a,d]cyclooctene, 1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydro-1,9a-dimethyl-4-methylene-7-(1-methylethyl)-, (1R,3aR,9aS,10aR)- [ACD/Index Name]
(1R,3aR,9aS,10aR)-7-isopropyl-1,9a-dimethyl-4-methylene-1,2,3,3a,4,5,6,8,9,9a,10,10a-dodecahydrodicyclopenta[a,d]cyclooctene
110990-41-5 [RN]
cycloaraneosene
  • Miscellaneous
    • Chemical Class:

      A diterpene that has a dicyclopenta[<ital>a</ital>,<ital>d</ital>]cyclooctane skeleton containing a double bond at the 6a-7 position and which is substituted by methyl groups at positions 1 and 9a, a methylene group at position 4 and an isopropyl group at position 7 (the 1<stereo>R</stereo>,3a<stereo>R</stereo>,9a<stereo>S</stereo>,10a<stereo>R</stereo> isomer). A precursor for sordaricin, the ag lycone of sodarin found in <ital>Sordaria araneosa</ital>. ChEBI CHEBI:138247
      A diterpene that has a dicyclopenta[a,d]cyclooctane skeleton containing a double bond at the 6a-7 position and which is substituted by methyl groups at positions 1 and 9a, a ; methylene group at posit ion 4 and an isopropyl group at position 7 (the 1R,3aR,9aS,10aR isomer). A precursor for sordaricin, the ag; lycone of sodarin found in Sordaria araneosa. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138247

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 353.3±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.4 mmHg at 25°C
Enthalpy of Vaporization: 57.5±0.8 kJ/mol
Flash Point: 158.5±14.4 °C
Index of Refraction: 1.510
Molar Refractivity: 87.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 7.21
ACD/BCF (pH 5.5): 178943.56
ACD/KOC (pH 5.5): 200203.08
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 178943.56
ACD/KOC (pH 7.4): 200203.08
Polar Surface Area: 0 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 32.2±5.0 dyne/cm
Molar Volume: 292.2±5.0 cm3

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