ChemSpider 2D Image | MFCD00077708 | C28H37NO4

MFCD00077708

  • Molecular FormulaC28H37NO4
  • Average mass451.598 Da
  • Monoisotopic mass451.272247 Da
  • ChemSpider ID23942015
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(3S,3aR,4S,6S,6aR,7E,10S,12S,13E,15R,15aR)-3-Benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylen-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-1-on [German] [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,12S,13E,15R,15aR)-3-Benzyl-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-1H-cycloundeca[d]isoindol-1-one [ACD/IUPAC Name]
(3S,3aR,4S,6S,6aR,7E,10S,12S,13E,15R,15aR)-3-Benzyl-6,12,15-trihydroxy-4,10,12-triméthyl-5-méthylène-2,3,3a,4,5,6,6a,9,10,11,12,15-dodécahydro-1H-cycloundéca[d]isoindol-1-one [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindol-1-one, 2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6,12,15-trihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,4S,6S,6aR,7E,10S,12S,13E,15R,15aR)- [ACD/Index Name]
53760-20-6 [RN]
Cytochalasin J from Phomopsis sp.
MFCD00077708
cytochalasin J

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

Density: 1.2±0.0 g/cm3
Boiling Point: 679.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 104.7±0.0 kJ/mol
Flash Point: 364.8±0.0 °C
Index of Refraction: 1.609
Molar Refractivity: 130.1±0.0 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 249.39
ACD/KOC (pH 5.5): 1808.37
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 249.38
ACD/KOC (pH 7.4): 1808.37
Polar Surface Area: 90 Å2
Polarizability: 51.6±0.0 10-24cm3
Surface Tension: 54.4±0.0 dyne/cm
Molar Volume: 375.6±0.0 cm3

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