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Search term: 23076670 (Found by CSID)
ChemSpider 2D Image | gibberosin K | C20H30O2

gibberosin K

  • Molecular FormulaC20H30O2
  • Average mass302.451 Da
  • Monoisotopic mass302.224579 Da
  • ChemSpider ID23076670

  • 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

(2E)-1-[(1R,5E,9S,10S)-6,10-Dimethyl-2-methylenbicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methyl-2-penten-1-on [German] [ACD/IUPAC Name]
(2E)-1-[(1R,5E,9S,10S)-6,10-Dimethyl-2-methylenebicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methyl-2-penten-1-one [ACD/IUPAC Name]
(2E)-1-[(1R,5E,9S,10S)-6,10-Diméthyl-2-méthylènebicyclo[7.2.0]undéc-5-én-10-yl]-4-hydroxy-4-méthyl-2-pentén-1-one [French] [ACD/IUPAC Name]
2-Penten-1-one, 1-[(1R,5E,9S,10S)-6,10-dimethyl-2-methylenebicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methyl-, (2E)- [ACD/Index Name]
gibberosin K
(1S*,9R*,11S*,4E,13E)-15-hydroxyxeniphylla-4,8(19),13-trien-12 one
(2E)-1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methylpent-2-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:65960
      A diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. ChEBI CHEBI:65960

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

Density: 1.0±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 185.5±21.3 °C
Index of Refraction: 1.525
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4712.84
ACD/KOC (pH 5.5): 14822.76
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4712.84
ACD/KOC (pH 7.4): 14822.76
Polar Surface Area: 37 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 38.0±5.0 dyne/cm
Molar Volume: 298.0±5.0 cm3

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