Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | (1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-3-Benzyl-17'-(cyclohexylcarbonyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca[16,18]dien]-2-one | C37H47NO4

(1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-3-Benzyl-17'-(cyclohexylcarbonyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca[16,18]dien]-2-one

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID10146341

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'S,2'S,5S,6'S,9'R,10'R,13'S,15'R)-3-Benzyl-17'-(cyclohexylcarbonyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca[16,18]dien]-2-one [ACD/IUPAC Name]
SES1_004101

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

Density: 1.2±0.1 g/cm3
Boiling Point: 763.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 415.5±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.63
ACD/BCF (pH 5.5): 64451.10
ACD/KOC (pH 5.5): 96389.09
ACD/LogD (pH 7.4): 6.63
ACD/BCF (pH 7.4): 64451.10
ACD/KOC (pH 7.4): 96389.09
Polar Surface Area: 67 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 456.3±5.0 cm3

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