Found 1 result

Search term: 78440620 (Found by CSID)
ChemSpider 2D Image | (3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)-3-Benzyl-6,15-dihydroxy-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,15-decahydro-1H-cycloundeca[d]isoindol-1-one | C28H35NO3

(3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)-3-Benzyl-6,15-dihydroxy-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,15-decahydro-1H-cycloundeca[d]isoindol-1-one

  • Molecular FormulaC28H35NO3
  • Average mass433.582 Da
  • Monoisotopic mass433.261688 Da
  • ChemSpider ID78440620

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)-3-Benzyl-6,15-dihydroxy-4,10,12-trimethyl-5-methylen-2,3,3a,4,5,6,6a,9,10,15-decahydro-1H-cycloundeca[d]isoindol-1-on [German] [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)-3-Benzyl-6,15-dihydroxy-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,15-decahydro-1H-cycloundeca[d]isoindol-1-one [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)-3-Benzyl-6,15-dihydroxy-4,10,12-triméthyl-5-méthylène-2,3,3a,4,5,6,6a,9,10,15-décahydro-1H-cycloundéca[d]isoindol-1-one [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindol-1-one, 2,3,3a,4,5,6,6a,9,10,15-decahydro-6,15-dihydroxy-4,10,12-trimethyl-5-methylene-3-(phenylmethyl)-, (3S,3aR,6S,6aR,7E,10S,13E,15R,15aR)- [ACD/Index Name]
Cytochalasin J2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 657.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 351.5±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.47
ACD/KOC (pH 5.5): 3690.05
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.47
ACD/KOC (pH 7.4): 3690.04
Polar Surface Area: 70 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 371.1±5.0 cm3

Click to predict properties on the Chemicalize site


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