ChemSpider 2D Image | (8R,9S,10R,13S,14R,17R)-13-Methyl-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 | C21H28O3

(8R,9S,10R,13S,14R,17R)-13-Methyl-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 FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID88298407

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(8R,9S,10R,13S,14R,17R)-13-Methyl-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, 1,3',4',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-13-methyl-, (8R,9S,10R,13S,14R,17R)- [ACD/Index Name]
1722-54-9 [RN]

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

SC 8109 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 232.2±30.2 °C
Index of Refraction: 1.570
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.35
ACD/KOC (pH 5.5): 542.22
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.35
ACD/KOC (pH 7.4): 542.22
Polar Surface Area: 43 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 276.2±5.0 cm3

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