ChemSpider 2D Image | (8S,9R,10S,13R,14R,17S)-3-Methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one | C23H32O3

(8S,9R,10S,13R,14R,17S)-3-Methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one

  • Molecular FormulaC23H32O3
  • Average mass356.498 Da
  • Monoisotopic mass356.235138 Da
  • ChemSpider ID78423364

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8S,9R,10S,13R,14R,17S)-3-Methoxy-10,13-dimethyl-1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-5'-one [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-5'-one, 1,2,3',4',7,8,9,10,11,12,13,14,15,16-tetradecahydro-3-methoxy-10,13-dimethyl-, (8S,9R,10S,13R,14R,17S)- [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: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 233.1±24.7 °C
Index of Refraction: 1.565
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.86
ACD/KOC (pH 5.5): 2028.82
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 292.86
ACD/KOC (pH 7.4): 2028.82
Polar Surface Area: 36 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 44.0±5.0 dyne/cm
Molar Volume: 310.8±5.0 cm3

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