ChemSpider 2D Image | (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate | C24H30O4

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate

  • Molecular FormulaC24H30O4
  • Average mass382.493 Da
  • Monoisotopic mass382.214417 Da
  • ChemSpider ID23346065

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate [ACD/IUPAC Name]
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl-acetat [German] [ACD/IUPAC Name]
17-Acetoxy-1b,2b-methanopegna-4,6-diene-3,20-dione
2701-50-0 [RN]
Acétate de (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acétyl-8b,10a-diméthyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tétradécahydrocyclopenta[a]cyclopropa[g]phénanthrén-1-yle [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopropa[g]phenanthren-7(1H)-one, 1-acetyl-1-(acetyloxy)-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydro-8b,10a-dimethyl-, (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)- [ACD/Index Name]
L F5 C6 B663 PV LU NUTJ B1 F1 GV1 GOV1 &&stereoisomer [WLN]
1α,2α-methylene-3,20-dioxo-pregna-4,6-dien-17α-acetoxy
6-Deschloro Cyproterone Acetate
MFCD01735918 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 518.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 79.1±3.0 kJ/mol
    Flash Point: 224.6±30.2 °C
    Index of Refraction: 1.576
    Molar Refractivity: 104.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 3.12
    ACD/BCF (pH 5.5): 139.24
    ACD/KOC (pH 5.5): 1191.55
    ACD/LogD (pH 7.4): 3.12
    ACD/BCF (pH 7.4): 139.24
    ACD/KOC (pH 7.4): 1191.55
    Polar Surface Area: 60 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 47.6±5.0 dyne/cm
    Molar Volume: 316.0±5.0 cm3

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