ChemSpider 2D Image | [9-Acetoxy-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate | C33H54O5

[9-Acetoxy-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate

  • Molecular FormulaC33H54O5
  • Average mass530.779 Da
  • Monoisotopic mass530.397095 Da
  • ChemSpider ID10009454

More details:

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

[9-Acetoxy-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate [ACD/IUPAC Name]
[9-Acetoxy-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl-acetat [German] [ACD/IUPAC Name]
3aH-Cyclopenta[a]chrysene-1,3a-dimethanol, 9-(acetyloxy)eicosahydro-α1,5a,5b,8,8,11a-hexamethyl-, 3a-acetate [ACD/Index Name]
Acétate de [9-acétoxy-1-(1-hydroxyéthyl)-5a,5b,8,8,11a-pentaméthylicosahydro-3aH-cyclopenta[a]chrysén-3a-yl]méthyle [French] [ACD/IUPAC Name]
(9-acetoxy-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysen-3a-yl)methyl acetate
[9-ACETYLOXY-1-(1-HYDROXYETHYL)-5A,5B,8,8,11A-PENTAMETHYL-1,2,3,4,5,6,7,7A,9,10,11,11B,12,13,13A,13B-HEXADECAHYDROCYCLOPENTA[A]CHRYSEN-3A-YL]METHYL ACETATE
3a-[(acetyloxy)methyl]-1-(1-hydroxyethyl)-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-9-yl acetate
MFCD02068502 [MDL number]

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

AE-641/00404028 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 566.2±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.7±6.0 kJ/mol
    Flash Point: 166.8±13.9 °C
    Index of Refraction: 1.533
    Molar Refractivity: 149.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 8.53
    ACD/LogD (pH 5.5): 7.73
    ACD/BCF (pH 5.5): 439392.66
    ACD/KOC (pH 5.5): 380825.63
    ACD/LogD (pH 7.4): 7.73
    ACD/BCF (pH 7.4): 439392.66
    ACD/KOC (pH 7.4): 380825.63
    Polar Surface Area: 73 Å2
    Polarizability: 59.4±0.5 10-24cm3
    Surface Tension: 43.5±5.0 dyne/cm
    Molar Volume: 482.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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