ChemSpider 2D Image | (2'R,8S,9R,10S,11S,13S,14S)-9,11-dichloro-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione | C22H28Cl2O3

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

  • Molecular FormulaC22H28Cl2O3
  • Average mass411.362 Da
  • Monoisotopic mass410.141541 Da
  • ChemSpider ID71081545

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2'R,8S,9R,10S,11S,13S,14S)-9,11-dichloro-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione
(8S,9R,10S,11S,13S,14S,17R)-9,11-Dichloro-10,13-dimethyl-1,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,5'(2H,4'H)-dione [ACD/IUPAC Name]
Spiro[17H-cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione, 9,11-dichloro-1,3',4',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-10,13-dimethyl-, (8S,9R,10S,11S,13S,14S,17R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 581.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.0±3.0 kJ/mol
Flash Point: 209.7±29.1 °C
Index of Refraction: 1.581
Molar Refractivity: 105.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.96
ACD/KOC (pH 5.5): 1774.89
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.96
ACD/KOC (pH 7.4): 1774.89
Polar Surface Area: 43 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 315.2±5.0 cm3

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