ChemSpider 2D Image | chejuenolide A | C23H33NO4

chejuenolide A

  • Molecular FormulaC23H33NO4
  • Average mass387.512 Da
  • Monoisotopic mass387.240967 Da
  • ChemSpider ID27023447

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Acetamide, N-[(1S,2E,4E,6R,8E,10E,12S,14E,17R)-6,12-dihydroxy-3,9,15,17-tetramethyl-16-oxo-2,4,8,10,14-cycloheptadecapentaen-1-yl]- [ACD/Index Name]
chejuenolide A
N-[(1S,2E,4E,6R,8E,10E,12S,14E,17R)-6,12-Dihydroxy-3,9,15,17-tetramethyl-16-oxo-2,4,8,10,14-cycloheptadecapentaen-1-yl]acetamid [German] [ACD/IUPAC Name]
N-[(1S,2E,4E,6R,8E,10E,12S,14E,17R)-6,12-Dihydroxy-3,9,15,17-tetramethyl-16-oxo-2,4,8,10,14-cycloheptadecapentaen-1-yl]acetamide [ACD/IUPAC Name]
N-[(1S,2E,4E,6R,8E,10E,12S,14E,17R)-6,12-Dihydroxy-3,9,15,17-tétraméthyl-16-oxo-2,4,8,10,14-cycloheptadécapentaén-1-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 637.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 339.6±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 112.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.76
ACD/KOC (pH 5.5): 375.67
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.76
ACD/KOC (pH 7.4): 375.67
Polar Surface Area: 87 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 352.1±5.0 cm3

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