ChemSpider 2D Image | 6,7-DESMETHYLENE DROSPIRENONE | C23H30O3

6,7-DESMETHYLENE DROSPIRENONE

  • Molecular FormulaC23H30O3
  • Average mass354.483 Da
  • Monoisotopic mass354.219482 Da
  • ChemSpider ID21196228

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,7aS,8aS,8bR,8cR)-4a,6a-Dimethyl-4,4a,4b,6,6a,7a,8,8a,8b,8c,9,10-dodecahydro-3H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(4'H,5H)-dione [ACD/IUPAC Name]
6,7-DESMETHYLENE DROSPIRENONE
67372-68-3 [RN]
Spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7(3H),2'(5'H)-furan]-2,5'(5H)-dione, 3',4,4',4a,4b,6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,7S,7aS,8aS,8bR,8cR)- [ACD/Index Name]
(2'S,4aR,4bS,6aS,7aS,8aS,8bR,8cR)-4a,6a-dimethyl-4,4a,4b,5,6,6a,8,8a,8b,8c,9,10-dodecahydro-2H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(3H,4'H,7aH)-dione
6,7-Demethylene Drospirenone
missing

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

3N90W9C3DW [DBID]
UNII:3N90W9C3DW [DBID]
UNII-3N90W9C3DW [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: 537.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 235.3±30.2 °C
    Index of Refraction: 1.588
    Molar Refractivity: 97.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 3.30
    ACD/BCF (pH 5.5): 191.07
    ACD/KOC (pH 5.5): 1494.45
    ACD/LogD (pH 7.4): 3.30
    ACD/BCF (pH 7.4): 191.07
    ACD/KOC (pH 7.4): 1494.45
    Polar Surface Area: 43 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 48.6±5.0 dyne/cm
    Molar Volume: 290.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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