ChemSpider 2D Image | [(1R,2S,5S,6S,9R,10R,15R)-5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)pentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-16,18-dien-17-yl](phenyl)methanone | C33H43NO4

[(1R,2S,5S,6S,9R,10R,15R)-5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](phenyl)methanone

  • Molecular FormulaC33H43NO4
  • Average mass517.699 Da
  • Monoisotopic mass517.319214 Da
  • ChemSpider ID5156961

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

[(1R,2S,5S,6S,9R,10R,15R)-5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](phenyl)methanon [German] [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5,13-Dihydroxy-6,10-dimethyl-5-(4-morpholinylmethyl)pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-17-yl](phenyl)methanone [ACD/IUPAC Name]
[(1R,2S,5S,6S,9R,10R,15R)-5,13-Dihydroxy-6,10-diméthyl-5-(4-morpholinylméthyl)pentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-17-yl](phényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [(5R,8R,9R,10R,13S,14S,17S)-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-10,13-dimethyl-17-(4-morpholinylmethyl)-5,8-etheno-2H-cyclopenta[a]phenanthren-7-yl]phenyl- [ACD/Index Name]
SES1_000484

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

Density: 1.3±0.1 g/cm3
Boiling Point: 663.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.3±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 36.28
ACD/KOC (pH 5.5): 168.07
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 851.57
ACD/KOC (pH 7.4): 3945.18
Polar Surface Area: 70 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 410.7±5.0 cm3

Click to predict properties on the Chemicalize site


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