ChemSpider 2D Image | (6aS,6bS,12aS)-6a-Hydroxy-6b,10,10,12a-tetramethyl-4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodecahydrophenanthro[3,2,1-cd]indole-2,3-dione | C23H29NO3

(6aS,6bS,12aS)-6a-Hydroxy-6b,10,10,12a-tetramethyl-4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodecahydrophenanthro[3,2,1-cd]indole-2,3-dione

  • Molecular FormulaC23H29NO3
  • Average mass367.481 Da
  • Monoisotopic mass367.214752 Da
  • ChemSpider ID29419397
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

(6aS,6bS,12aS)-6a-Hydroxy-6b,10,10,12a-tetramethyl-4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodecahydrophenanthro[3,2,1-cd]indol-2,3-dion [German] [ACD/IUPAC Name]
(6aS,6bS,12aS)-6a-Hydroxy-6b,10,10,12a-tetramethyl-4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodecahydrophenanthro[3,2,1-cd]indole-2,3-dione [ACD/IUPAC Name]
(6aS,6bS,12aS)-6a-Hydroxy-6b,10,10,12a-tétraméthyl-4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodécahydrophénanthro[3,2,1-cd]indole-2,3-dione [French] [ACD/IUPAC Name]
Phenanthro[3,2,1-cd]indole-2,3-dione, 4,6,6a,6b,7,8,9,10,10a,11,12,12a-dodecahydro-6a-hydroxy-6b,10,10,12a-tetramethyl-, (6aS,6bS,12aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 561.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 293.1±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1111.07
ACD/KOC (pH 5.5): 5269.16
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1111.07
ACD/KOC (pH 7.4): 5269.15
Polar Surface Area: 70 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 57.1±5.0 dyne/cm
Molar Volume: 290.8±5.0 cm3

Click to predict properties on the Chemicalize site






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