ChemSpider 2D Image | lehualide F | C23H30O4

lehualide F

  • Molecular FormulaC23H30O4
  • Average mass370.482 Da
  • Monoisotopic mass370.214417 Da
  • ChemSpider ID26344074

  • Double-bond stereo - Double-bond stereo

More details:

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

1280217-95-9 [RN]
2H-Pyran-2-one, 4-hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenyl-2-nonen-1-yl]- [ACD/Index Name]
4-Hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenyl-2-nonen-1-yl]-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenyl-2-nonen-1-yl]-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-méthoxy-5-méthyl-6-[(2E)-3-méthyl-9-phényl-2-nonén-1-yl]-2H-pyran-2-one [French] [ACD/IUPAC Name]
lehualide F
4-hydroxy-3-methoxy-5-methyl-6-[(2E)-3-methyl-9-phenylnon-2-en-1-yl]-2H-pyran-2-one
  • Miscellaneous

    • Chemical Class:

      A member of the class of 2-pyranones that is 2<element>H</element>-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2<stereo >E</stereo>)-3-methyl-9-phenylnon-2-en-1-yl group at position 6. Isolated from the marine sponge of the genus <ital>Plakortis</ital>, it exhibits cytotoxicity against human promyeloid leukemic HL-60 c ells. ChEBI CHEBI:68006
      A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2E)-3-methyl-9-phenylnon-2- en-1-yl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68006, CHEBI:68006

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 174.2±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 107.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 5.00
ACD/BCF (pH 5.5): 3139.79
ACD/KOC (pH 5.5): 9022.03
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 77.80
ACD/KOC (pH 7.4): 223.54
Polar Surface Area: 56 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 334.9±5.0 cm3

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