Found 31 results

Search term: MF = 'C_{33}H_{47}NO_{3}'
ChemSpider 2D Image | (3R,5S,5'S,8R,9S,10S,13S,14S)-4'-Benzyl-5'-isobutyl-10,13-dimethyltetradecahydro-6'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2H)-dione | C33H47NO3

(3R,5S,5'S,8R,9S,10S,13S,14S)-4'-Benzyl-5'-isobutyl-10,13-dimethyltetradecahydro-6'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2H)-dione

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID59004247

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,5S,5'S,8R,9S,10S,13S,14S)-4'-Benzyl-5'-isobutyl-10,13-dimethyltetradecahydro-6'H-spiro[cyclopenta[a]phenanthrene-3,2'-[1,4]oxazinane]-6',17(2H)-dione [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-morpholine]-6',17(2H)-dione, tetradecahydro-10,13-dimethyl-5'-(2-methylpropyl)-4'-(phenylmethyl)-, (3R,5S,5'S,8R,9S,10S,13S,14S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 332.5±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 17292.39
ACD/KOC (pH 5.5): 30438.67
ACD/LogD (pH 7.4): 6.30
ACD/BCF (pH 7.4): 35828.83
ACD/KOC (pH 7.4): 63067.16
Polar Surface Area: 47 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

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