26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione

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  • Identifiers

    CAS number
    8023-70-9

    Molecular formula
    C58H63N3O9

    SMILES
    COC1=C(C=C2C3=CC4CC5(CCC(C5)CN6C=CC7=C6C=CN7)C8CC(CCC8C4C(C2=C1)CC(=O)CC(OC(=O)CC#CCC9=C3NC1=CC=CC=C91)CCC1=CC(=C(C=C1)O)OCCO)O)O

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Odorless 43.41%
    Vanilla 29.75%
    Animal 26.88%
    Sweet 26.32%
    Spicy 22.03%
    Floral 20.03%
    Savory 19.46%
    Powdery 19.39%
    Milky 19.18%
    Balsamic 17.83%

     

    Flavor
    Bitter 89.09%
    Sweet-like 20.94%
    Cedarleaf 20.7%
    Lovage 19.74%
    Bland 19.46%
    Alkaline 19.35%
    Parsley 19.25%
    Cereal 19.19%
    Odorless 19.16%
    Very strong 19.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    8.1

    pKa est.
    8.67 (weak base)

    Molecular weight
    946.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    4670°C

    Flash point

    • 271.79 ˚C est.

  • Synonyms

    • 8023-70-9
    • (3'R,17R,21S,22R,23S,26R,28R,29S,31S)-26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione
    • 8023-70-9

  • Applications

    Chemical name: 26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione, CAS number: 8023-70-9, is primarily considered as an advanced organic synthesis intermediate and a rigid multi-ring scaffold in research settings. In pharmaceutical development, it may be used as a building block for medicinal chemistry programs and library generation, supporting SAR exploration for heterocyclic drug candidates. In chemical research and materials science, it can serve as a versatile reagent or precursor for constructing complex heterocycles, potentially enabling new polymer or specialty material designs. Its applications are generally exploratory, often evaluated for use in coatings or inks as a high-aromatic-content component within formulation limits and subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.5
    methanol 11.53
    isopropanol 1.23
    water 0.04
    ethyl acetate 1.78
    n-propanol 2.09
    acetone 6.47
    n-butanol 1.25
    acetonitrile 1.43
    DMF 29.2
    toluene 0.29
    isobutanol 1.0
    1,4-dioxane 4.63
    methyl acetate 3.3
    THF 10.16
    2-butanone 5.18
    n-pentanol 1.2
    sec-butanol 0.99
    n-hexane 0.02
    ethylene glycol 4.04
    NMP 19.22
    cyclohexane 0.02
    DMSO 31.92
    n-butyl acetate 0.98
    n-octanol 1.1
    chloroform 7.14
    n-propyl acetate 1.36
    acetic acid 24.51
    dichloromethane 5.59
    cyclohexanone 5.99
    propylene glycol 3.96
    isopropyl acetate 1.16
    DMAc 30.61
    2-ethoxyethanol 9.47
    isopentanol 0.85
    n-heptane 0.03
    ethyl formate 3.6
    1,2-dichloroethane 2.1
    n-hexanol 0.67
    2-methoxyethanol 15.88
    isobutyl acetate 0.85
    tetrachloromethane 0.48
    n-pentyl acetate 2.48
    transcutol 14.36
    n-heptanol 1.18
    ethylbenzene 0.16
    MIBK 1.37
    2-propoxyethanol 7.46
    tert-butanol 0.71
    MTBE 0.5
    2-butoxyethanol 7.12
    propionic acid 5.27
    o-xylene 0.19
    formic acid 22.25
    diethyl ether 0.74
    m-xylene 0.17
    p-xylene 0.22
    chlorobenzene 0.76
    dimethyl carbonate 4.48
    n-octane 0.03
    formamide 17.61
    cyclopentanone 11.63
    2-pentanone 2.68
    anisole 1.0
    cyclopentyl methyl ether 1.15
    gamma-butyrolactone 12.11
    1-methoxy-2-propanol 8.87
    pyridine 4.23
    3-pentanone 2.1
    furfural 15.93
    n-dodecane 0.03
    diethylene glycol 8.76
    diisopropyl ether 0.15
    tert-amyl alcohol 0.73
    acetylacetone 5.86
    n-hexadecane 0.03
    acetophenone 1.97
    methyl propionate 3.03
    isopentyl acetate 0.94
    trichloroethylene 9.08
    n-nonanol 1.22
    cyclohexanol 0.67
    benzyl alcohol 2.04
    2-ethylhexanol 0.36
    isooctanol 0.82
    dipropyl ether 0.62
    1,2-dichlorobenzene 0.82
    ethyl lactate 2.54
    propylene carbonate 4.24
    n-methylformamide 15.31
    2-pentanol 0.55
    n-pentane 0.02
    1-propoxy-2-propanol 3.96
    1-methoxy-2-propyl acetate 2.93
    2-(2-methoxypropoxy) propanol 6.22
    mesitylene 0.09
    ε-caprolactone 4.98
    p-cymene 0.14
    epichlorohydrin 11.68
    1,1,1-trichloroethane 1.25
    2-aminoethanol 4.89
    morpholine-4-carbaldehyde 21.92
    sulfolane 22.99
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.92
    n-hexyl acetate 2.37
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.56
    sec-butyl acetate 0.74
    tert-butyl acetate 1.07
    decalin 0.02
    glycerin 11.8
    diglyme 13.25
    acrylic acid 9.8
    isopropyl myristate 0.73
    n-butyric acid 4.61
    acetyl acetate 2.25
    di(2-ethylhexyl) phthalate 1.67
    ethyl propionate 1.22
    nitromethane 32.8
    1,2-diethoxyethane 2.27
    benzonitrile 1.36
    trioctyl phosphate 1.11
    1-bromopropane 0.59
    gamma-valerolactone 33.7
    n-decanol 0.76
    triethyl phosphate 0.71
    4-methyl-2-pentanol 0.34
    propionitrile 1.37
    vinylene carbonate 6.15
    1,1,2-trichlorotrifluoroethane 27.57
    DMS 2.32
    cumene 0.12
    2-octanol 0.66
    2-hexanone 2.03
    octyl acetate 1.3
    limonene 0.17
    1,2-dimethoxyethane 9.26
    ethyl orthosilicate 0.65
    tributyl phosphate 1.01
    diacetone alcohol 3.54
    N,N-dimethylaniline 0.69
    acrylonitrile 3.24
    aniline 0.9
    1,3-propanediol 5.49
    bromobenzene 0.61
    dibromomethane 2.0
    1,1,2,2-tetrachloroethane 5.89
    2-methyl-cyclohexyl acetate 1.01
    tetrabutyl urea 1.9
    diisobutyl methanol 0.2
    2-phenylethanol 1.38
    styrene 0.22
    dioctyl adipate 1.78
    dimethyl sulfate 9.3
    ethyl butyrate 0.92
    methyl lactate 6.91
    butyl lactate 3.91
    diethyl carbonate 0.71
    propanediol butyl ether 8.39
    triethyl orthoformate 1.0
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.87
    morpholine 5.86
    tert-butylamine 0.2
    n-dodecanol 0.46
    dimethoxymethane 10.58
    ethylene carbonate 3.64
    cyrene 8.66
    2-ethoxyethyl acetate 5.67
    2-ethylhexyl acetate 0.64
    1,2,4-trichlorobenzene 1.39
    4-methylpyridine 2.17
    dibutyl ether 0.64
    2,6-dimethyl-4-heptanol 0.2
    DEF 3.82
    dimethyl isosorbide 6.94
    tetrachloroethylene 3.83
    eugenol 4.52
    triacetin 4.59
    span 80 5.6
    1,4-butanediol 2.78
    1,1-dichloroethane 1.43
    2-methyl-1-pentanol 0.87
    methyl formate 12.91
    2-methyl-1-butanol 0.9
    n-decane 0.05
    butyronitrile 1.03
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.3
    1-chlorotetradecane 0.11
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.25
    tetrahydropyran 1.62
    tert-amyl methyl ether 0.49
    2,5,8-trioxanonane 9.47
    1-hexene 0.11
    2-isopropoxyethanol 4.24
    2,2,2-trifluoroethanol 8.59
    methyl butyrate 1.92

    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