Pregn-4-ene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6alpha,11beta,16alpha)-

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  • Identifiers

    Molecular formula
    C24H33FO6

    SMILES
    CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C

  • Odor profile

    Fragrance
    Woody 45.12%
    Odorless 43.21%
    Spicy 21.58%
    Sweet 21.21%
    Mint 20.25%
    Amber 19.62%
    Cedar 19.52%
    Cooling 19.22%
    Dry 19.16%
    Fresh 18.21%

     

    Flavor
    Bitter 84.78%
    Cedarleaf 22.2%
    Sweet-like 21.59%
    Ripe apricot 19.7%
    Fatty 19.36%
    Lovage 19.27%
    Leaves 19.18%
    Parsley 19.16%
    Red fruit 19.12%
    Naphthalic 19.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.23 (weak acid)

    Molecular weight
    436.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    534°C

    Flash point

    • 212.7 ˚C est.

  • Synonyms

    • Fluoroandrenolone acetonide
    • Fludroxycortida
    • SCHEMBL13423594
    • DTXSID60859657
    • POPFMWWJOGLOIF-UHFFFAOYSA-N
    • Pregn-4-ene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6.alpha.,11.beta.,16.alpha.)-
    • (1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9.0^{4,8.0^{13,18]icos-17-en-16-one
    • (6.alpha.,11.beta.)-6-Fluoro-11,21-dihydroxy-16.alpha.,17.alpha.-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
    • 12-Fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
    • 12-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one #
    • 6.alpha.-Fluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic 16,17-acetal with acetone
    • Pregn-4-ene-3,20-dione, 6.alpha.-fluoro-11.beta.,16.alpha.,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone

  • Applications

    Pregn-4-ene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6alpha,11beta,16alpha)- is a steroidal precursor primarily used as an intermediate in the synthesis of steroids, especially corticosteroids and related active pharmaceutical ingredients. In the pharmaceutical industry, it often serves as a building block for steroid APIs and provides the core framework for derivatives. In medicinal chemistry research and development, it is considered a platform for designing and synthesizing new steroid derivatives, and for evaluating their chemical and biological properties. In analytical science and method development, it can be used as a reference standard or material to calibrate methods for steroid analysis and stereoisomers, supporting laboratories and process development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.46
    methanol 110.24
    isopropanol 22.3
    water 1.64
    ethyl acetate 21.56
    n-propanol 33.27
    acetone 68.98
    n-butanol 23.27
    acetonitrile 52.5
    DMF 169.53
    toluene 6.1
    isobutanol 16.27
    1,4-dioxane 49.01
    methyl acetate 27.29
    THF 116.76
    2-butanone 35.45
    n-pentanol 13.38
    sec-butanol 10.5
    n-hexane 0.33
    ethylene glycol 29.47
    NMP 93.42
    cyclohexane 0.61
    DMSO 276.22
    n-butyl acetate 14.41
    n-octanol 5.35
    chloroform 54.29
    n-propyl acetate 14.52
    acetic acid 102.99
    dichloromethane 50.87
    cyclohexanone 52.32
    propylene glycol 18.07
    isopropyl acetate 14.89
    DMAc 97.55
    2-ethoxyethanol 45.09
    isopentanol 13.15
    n-heptane 0.29
    ethyl formate 29.75
    1,2-dichloroethane 29.49
    n-hexanol 12.12
    2-methoxyethanol 106.05
    isobutyl acetate 9.73
    tetrachloromethane 7.62
    n-pentyl acetate 13.58
    transcutol 32.76
    n-heptanol 9.25
    ethylbenzene 2.9
    MIBK 15.54
    2-propoxyethanol 57.31
    tert-butanol 13.79
    MTBE 4.66
    2-butoxyethanol 32.2
    propionic acid 29.67
    o-xylene 3.39
    formic acid 96.3
    diethyl ether 12.28
    m-xylene 4.0
    p-xylene 3.84
    chlorobenzene 10.82
    dimethyl carbonate 28.61
    n-octane 0.16
    formamide 116.17
    cyclopentanone 87.83
    2-pentanone 28.09
    anisole 9.67
    cyclopentyl methyl ether 16.49
    gamma-butyrolactone 97.54
    1-methoxy-2-propanol 62.57
    pyridine 39.92
    3-pentanone 19.9
    furfural 79.11
    n-dodecane 0.13
    diethylene glycol 67.08
    diisopropyl ether 2.24
    tert-amyl alcohol 7.28
    acetylacetone 44.55
    n-hexadecane 0.16
    acetophenone 16.54
    methyl propionate 26.42
    isopentyl acetate 12.66
    trichloroethylene 55.95
    n-nonanol 5.84
    cyclohexanol 9.94
    benzyl alcohol 15.27
    2-ethylhexanol 5.1
    isooctanol 6.8
    dipropyl ether 5.65
    1,2-dichlorobenzene 10.75
    ethyl lactate 16.65
    propylene carbonate 38.95
    n-methylformamide 109.36
    2-pentanol 7.36
    n-pentane 0.45
    1-propoxy-2-propanol 26.14
    1-methoxy-2-propyl acetate 26.13
    2-(2-methoxypropoxy) propanol 21.7
    mesitylene 2.18
    ε-caprolactone 40.07
    p-cymene 2.5
    epichlorohydrin 95.15
    1,1,1-trichloroethane 17.17
    2-aminoethanol 41.22
    morpholine-4-carbaldehyde 102.13
    sulfolane 111.94
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 24.47
    n-hexyl acetate 13.48
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 25.2
    sec-butyl acetate 7.95
    tert-butyl acetate 12.9
    decalin 0.34
    glycerin 45.06
    diglyme 49.08
    acrylic acid 40.53
    isopropyl myristate 4.52
    n-butyric acid 35.46
    acetyl acetate 23.92
    di(2-ethylhexyl) phthalate 10.38
    ethyl propionate 13.73
    nitromethane 177.08
    1,2-diethoxyethane 10.94
    benzonitrile 20.02
    trioctyl phosphate 7.45
    1-bromopropane 9.6
    gamma-valerolactone 132.62
    n-decanol 3.61
    triethyl phosphate 8.41
    4-methyl-2-pentanol 5.19
    propionitrile 32.62
    vinylene carbonate 48.76
    1,1,2-trichlorotrifluoroethane 74.02
    DMS 16.72
    cumene 2.13
    2-octanol 4.12
    2-hexanone 16.68
    octyl acetate 7.15
    limonene 2.93
    1,2-dimethoxyethane 57.43
    ethyl orthosilicate 6.88
    tributyl phosphate 7.07
    diacetone alcohol 23.87
    N,N-dimethylaniline 6.87
    acrylonitrile 52.69
    aniline 11.46
    1,3-propanediol 50.06
    bromobenzene 9.16
    dibromomethane 26.49
    1,1,2,2-tetrachloroethane 37.28
    2-methyl-cyclohexyl acetate 11.58
    tetrabutyl urea 11.83
    diisobutyl methanol 2.94
    2-phenylethanol 17.75
    styrene 3.33
    dioctyl adipate 9.91
    dimethyl sulfate 49.57
    ethyl butyrate 11.14
    methyl lactate 34.33
    butyl lactate 16.7
    diethyl carbonate 9.44
    propanediol butyl ether 21.54
    triethyl orthoformate 9.04
    p-tert-butyltoluene 2.08
    methyl 4-tert-butylbenzoate 18.08
    morpholine 55.29
    tert-butylamine 4.59
    n-dodecanol 2.23
    dimethoxymethane 108.13
    ethylene carbonate 38.39
    cyrene 35.07
    2-ethoxyethyl acetate 21.45
    2-ethylhexyl acetate 9.33
    1,2,4-trichlorobenzene 13.56
    4-methylpyridine 27.09
    dibutyl ether 3.11
    2,6-dimethyl-4-heptanol 2.94
    DEF 31.4
    dimethyl isosorbide 35.94
    tetrachloroethylene 27.93
    eugenol 22.69
    triacetin 19.15
    span 80 17.51
    1,4-butanediol 21.07
    1,1-dichloroethane 19.34
    2-methyl-1-pentanol 8.55
    methyl formate 85.58
    2-methyl-1-butanol 11.39
    n-decane 0.28
    butyronitrile 24.75
    3,7-dimethyl-1-octanol 4.28
    1-chlorooctane 1.95
    1-chlorotetradecane 0.63
    n-nonane 0.21
    undecane 0.18
    tert-butylcyclohexane 0.26
    cyclooctane 0.23
    cyclopentanol 18.28
    tetrahydropyran 23.05
    tert-amyl methyl ether 4.15
    2,5,8-trioxanonane 33.14
    1-hexene 1.67
    2-isopropoxyethanol 22.21
    2,2,2-trifluoroethanol 50.94
    methyl butyrate 18.53

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction