ChemSpider 2D Image | (3Z,5R)-3-[{(1S,2S,4aR,8S,8aR)-2-[(2E)-2-Buten-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}(hydroxy)methylene]-5-isopropyl-1-methyl-2,4-pyrrolidinedione | C25H37NO3

(3Z,5R)-3-[{(1S,2S,4aR,8S,8aR)-2-[(2E)-2-Buten-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}(hydroxy)methylene]-5-isopropyl-1-methyl-2,4-pyrrolidinedione

  • Molecular FormulaC25H37NO3
  • Average mass399.566 Da
  • Monoisotopic mass399.277344 Da
  • ChemSpider ID40256687

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3Z,5R)-3-[{(1S,2S,4aR,8S,8aR)-2-[(2E)-2-Butén-2-yl]-3,8-diméthyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphtalényl}(hydroxy)méthylène]-5-isopropyl-1-méthyl-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
(3Z,5R)-3-[{(1S,2S,4aR,8S,8aR)-2-[(2E)-2-Buten-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}(hydroxy)methylene]-5-isopropyl-1-methyl-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3Z,5R)-3-[{(1S,2S,4aR,8S,8aR)-2-[(2E)-2-Buten-2-yl]-3,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalinyl}(hydroxy)methylen]-5-isopropyl-1-methyl-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
2,4-Pyrrolidinedione, 3-[hydroxy[(1S,2S,4aR,8S,8aR)-1,2,4a,5,6,7,8,8a-octahydro-3,8-dimethyl-2-[(1E)-1-methyl-1-propen-1-yl]-1-naphthalenyl]methylene]-1-methyl-5-(1-methylethyl)-, (3Z,5R)- [ACD/Index Name]
Trichobotrysin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.8±6.0 kJ/mol
Flash Point: 283.9±30.1 °C
Index of Refraction: 1.533
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.18
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 726.98
ACD/KOC (pH 5.5): 1969.23
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 12.54
ACD/KOC (pH 7.4): 33.97
Polar Surface Area: 58 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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