ChemSpider 2D Image | (1S,10R,15S,16E)-15-Hydroxy-17,20,20-trimethyl-13-methylene-2-oxa-5-azatetracyclo[8.8.2.0~1,5~.0~7,19~]icosa-7(19),16-dien-6-one | C22H31NO3

(1S,10R,15S,16E)-15-Hydroxy-17,20,20-trimethyl-13-methylene-2-oxa-5-azatetracyclo[8.8.2.01,5.07,19]icosa-7(19),16-dien-6-one

  • Molecular FormulaC22H31NO3
  • Average mass357.486 Da
  • Monoisotopic mass357.230408 Da
  • ChemSpider ID40256576

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,10R,15S,16E)-15-Hydroxy-17,20,20-trimethyl-13-methylen-2-oxa-5-azatetracyclo[8.8.2.01,5.07,19]icosa-7(19),16-dien-6-on [German] [ACD/IUPAC Name]
(1S,10R,15S,16E)-15-Hydroxy-17,20,20-trimethyl-13-methylene-2-oxa-5-azatetracyclo[8.8.2.01,5.07,19]icosa-7(19),16-dien-6-one [ACD/IUPAC Name]
(1S,10R,15S,16E)-15-Hydroxy-17,20,20-triméthyl-13-méthylène-2-oxa-5-azatétracyclo[8.8.2.01,5.07,19]icosa-7(19),16-dién-6-one [French] [ACD/IUPAC Name]
6,8-Ethano-5H-cyclododeca[2,3]pyrrolo[2,1-b]oxazol-5-one, 2,3,7,8,9,10,11,12,13,16-decahydro-13-hydroxy-7,7,15-trimethyl-11-methylene-, (8R,13S,14E,16aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.9±6.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 101.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.61
ACD/KOC (pH 5.5): 1585.96
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.61
ACD/KOC (pH 7.4): 1585.96
Polar Surface Area: 50 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 305.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement