ChemSpider 2D Image | 6,7-EPIDROSPIRENONE | C24H30O3

6,7-EPIDROSPIRENONE

  • Molecular FormulaC24H30O3
  • Average mass366.493 Da
  • Monoisotopic mass366.219482 Da
  • ChemSpider ID31046276

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1aS,5aR,5bS,7aS,8S,8aS,9aS,9bS,9cR,9dS)-5a,7a-Dimethyl-1,1a,5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-tetradecahydro-3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'-furan]-3,5'(4H,4'H) -dione [ACD/IUPAC Name]
6,7-EPIDROSPIRENONE
889652-31-7 [RN]
Spiro[8H-cyclopropa[4,5]cyclopenta[1,2-a]cyclopropa[l]phenanthrene-8,2'(5'H)-furan]-3,5'(4H)-dione, 1,1a,3',4',5,5a,5b,6,7,7a,8a,9,9a,9b,9c,9d-hexadecahydro-5a,7a-dimethyl-, (1aS,5aR,5bS,7aS,8S,8aS,9a S,9bS,9cR,9dS)- [ACD/Index Name]
6??,7??-Drospirenone
6a,7a-Drospirenone
6-α-7-α-Drospirenone

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

D9Q360L95K [DBID]
UNII-D9Q360L95K [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 552.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.3±3.0 kJ/mol
    Flash Point: 241.6±30.2 °C
    Index of Refraction: 1.610
    Molar Refractivity: 100.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.15
    ACD/LogD (pH 5.5): 3.46
    ACD/BCF (pH 5.5): 253.17
    ACD/KOC (pH 5.5): 1827.98
    ACD/LogD (pH 7.4): 3.46
    ACD/BCF (pH 7.4): 253.17
    ACD/KOC (pH 7.4): 1827.98
    Polar Surface Area: 43 Å2
    Polarizability: 39.8±0.5 10-24cm3
    Surface Tension: 51.2±5.0 dyne/cm
    Molar Volume: 289.4±5.0 cm3

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