ChemSpider 2D Image | 1-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethanone | C22H30O4

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

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID19372773

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-[(8S,13S,14S,17R)-17-Hydroxy-13-methyl-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[(8S,13S,14S,17R)-1,2,4,6,7,8,12,13,14,15,16,17-dodecahydro-17-hydroxy-13-methylspiro[3H-cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-17-yl]- [ACD/Index Name]
17-Hydroxy-19-norpregna-5(10),9(11)-diene-3,20-dione cyclic 3-(1,2-ethanediyl acetal)
19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-hydroxy-, cyclic 3-(1,2-ethanediyl acetal)
3,3-[1,2-ethanediylbis(oxy)]-17??-hydroxy-19-norpregna-5(10),9(11)-dien-20-one
42982-49-0 [RN]
MFCD23160370

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 534.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±6.0 kJ/mol
    Flash Point: 186.1±23.6 °C
    Index of Refraction: 1.588
    Molar Refractivity: 98.0±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.07
    ACD/LogD (pH 5.5): 3.18
    ACD/BCF (pH 5.5): 153.71
    ACD/KOC (pH 5.5): 1278.97
    ACD/LogD (pH 7.4): 3.18
    ACD/BCF (pH 7.4): 153.71
    ACD/KOC (pH 7.4): 1278.96
    Polar Surface Area: 56 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 291.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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