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Search term: 23076671 (Found by CSID)
ChemSpider 2D Image | gibberosin L | C20H30O

gibberosin L

  • Molecular FormulaC20H30O
  • Average mass286.452 Da
  • Monoisotopic mass286.229675 Da
  • ChemSpider ID23076671

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1R,5E,9S,10S)-6,10-Dimethyl-2-methylenbicyclo[7.2.0]undec-5-en-10-yl]-4-methyl-3-penten-1-on [German] [ACD/IUPAC Name]
1-[(1R,5E,9S,10S)-6,10-Dimethyl-2-methylenebicyclo[7.2.0]undec-5-en-10-yl]-4-methyl-3-penten-1-one [ACD/IUPAC Name]
1-[(1R,5E,9S,10S)-6,10-Diméthyl-2-méthylènebicyclo[7.2.0]undéc-5-én-10-yl]-4-méthyl-3-pentén-1-one [French] [ACD/IUPAC Name]
3-Penten-1-one, 1-[(1R,5E,9S,10S)-6,10-dimethyl-2-methylenebicyclo[7.2.0]undec-5-en-10-yl]-4-methyl- [ACD/Index Name]
gibberosin L
(1S*,9R*,11S*,4E)-xeniaphylla-4,8(19),14-trien-12-one
1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-methylpent-3-en-1-one
  • Miscellaneous

    • Chemical Class:

      A diterpenoid of the xeniaphyllane type isolated from <ital>Sinularia gibberosa</ital> and has been shown to exhibit antineoplastic activity. ChEBI CHEBI:65961
      A diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. ChEBI CHEBI:65961

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

Density: 1.0±0.1 g/cm3
Boiling Point: 387.9±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.7±3.0 kJ/mol
Flash Point: 163.6±22.6 °C
Index of Refraction: 1.509
Molar Refractivity: 89.5±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.53
ACD/BCF (pH 5.5): 53979.90
ACD/KOC (pH 5.5): 84901.16
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 53979.90
ACD/KOC (pH 7.4): 84901.16
Polar Surface Area: 17 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 33.6±5.0 dyne/cm
Molar Volume: 300.1±5.0 cm3

Click to predict properties on the Chemicalize site


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