ChemSpider 2D Image | (8S,9R,10S,13R,14R,17R)-13-Methyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one | C21H30O2

(8S,9R,10S,13R,14R,17R)-13-Methyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID62355190

  • 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,17R)-13-Methyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3(2H)-one [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-3(2H)-one, 1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-13-methyl-, (8S,9R,10S,13R,14R,17R)- [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: 465.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 196.6±22.3 °C
Index of Refraction: 1.562
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 262.40
ACD/KOC (pH 5.5): 1875.43
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 262.40
ACD/KOC (pH 7.4): 1875.43
Polar Surface Area: 26 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 279.3±5.0 cm3

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