ChemSpider 2D Image | (5S,8R,9S,10S,13S,14S,17R)-17-Allyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name) | C24H36O2

(5S,8R,9S,10S,13S,14S,17R)-17-Allyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name)

  • Molecular FormulaC24H36O2
  • Average mass356.541 Da
  • Monoisotopic mass356.271515 Da
  • ChemSpider ID62987489

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5S,8R,9S,10S,13S,14S,17R)-17-Allyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate (non-preferred name) [ACD/IUPAC Name]
(5S,8R,9S,10S,13S,14S,17R)-17-Allyl-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl-acetat (non-preferred name) [German] [ACD/IUPAC Name]
Acétate de (5S,8R,9S,10S,13S,14S,17R)-17-allyl-10,13-diméthyl-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tétradécahydro-1H-cyclopenta[a]phénanthrén-17-yle (non-preferred name) [French] [ACD/IUPAC Name]
4811-83-0 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 420.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 202.9±16.3 °C
Index of Refraction: 1.534
Molar Refractivity: 106.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.98
ACD/LogD (pH 5.5): 6.96
ACD/BCF (pH 5.5): 115036.67
ACD/KOC (pH 5.5): 145923.41
ACD/LogD (pH 7.4): 6.96
ACD/BCF (pH 7.4): 115036.67
ACD/KOC (pH 7.4): 145923.41
Polar Surface Area: 26 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 39.1±5.0 dyne/cm
Molar Volume: 342.5±5.0 cm3

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