ChemSpider 2D Image | (8S,13S,14S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol | C24H34O5

(8S,13S,14S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID18644276
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(8S,13S,14S,17R)-13-Methyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol [ACD/IUPAC Name]
Spiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-ol, 1,2,4,6,7,8,12,13,14,15,16,17-dodecahydro-13-methyl-17-(2-methyl-1,3-dioxolan-2-yl)-, (8S,13S,14S,17R)- [ACD/Index Name]
17?-hydroxy-19-norpregna-5(10),9(11)-diene-3,20-dione 3,20-bis(ethylene acetal)
3,20-Bis(ethylenedioxy)-19-norpregna-5(10),9(11)-dien-17-ol
3,20-Bis(ethylenedioxy)-19-norpregna-5(10)9(11)dien-17-ol
3,3,20,20-Bis(ethylene-dioxy)-17?-hydroxy-19-norpregna-5(10),9(11)-diene
54201-84-2 [RN]
MFCD22200746

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.3±0.1 g/cm3
    Boiling Point: 562.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.1±6.0 kJ/mol
    Flash Point: 293.7±30.1 °C
    Index of Refraction: 1.593
    Molar Refractivity: 108.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.71
    ACD/LogD (pH 5.5): 3.77
    ACD/BCF (pH 5.5): 429.66
    ACD/KOC (pH 5.5): 2669.29
    ACD/LogD (pH 7.4): 3.77
    ACD/BCF (pH 7.4): 429.66
    ACD/KOC (pH 7.4): 2669.29
    Polar Surface Area: 57 Å2
    Polarizability: 43.0±0.5 10-24cm3
    Surface Tension: 51.5±5.0 dyne/cm
    Molar Volume: 320.3±5.0 cm3

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