ChemSpider 2D Image | (1S,4R,7S,9beta,23E)-1,7-Dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-triene-9-carbaldehyde | C30H46O3

(1S,4R,7S,9β,23E)-1,7-Dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-triene-9-carbaldehyde

  • Molecular FormulaC30H46O3
  • Average mass454.684 Da
  • Monoisotopic mass454.344696 Da
  • ChemSpider ID57620819

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,4R,7S,9β,23E)-1,7-Dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-9-carbaldehyd [German] [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-1,7-Dihydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-triene-9-carbaldehyde [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-1,7-Dihydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23,25-triène-9-carbaldéhyde [French] [ACD/IUPAC Name]
Estr-5-ene-9-carboxaldehyde, 17-[(1R,3E)-1,5-dimethyl-3,5-hexadien-1-yl]-3,7-dihydroxy-4,4,14-trimethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]
(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
1141453-65-7 [RN]
kuguacin J
MFCD25371936

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 563.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.3±6.0 kJ/mol
    Flash Point: 308.7±26.6 °C
    Index of Refraction: 1.553
    Molar Refractivity: 135.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 7.13
    ACD/LogD (pH 5.5): 6.57
    ACD/BCF (pH 5.5): 57663.05
    ACD/KOC (pH 5.5): 89008.59
    ACD/LogD (pH 7.4): 6.57
    ACD/BCF (pH 7.4): 57663.05
    ACD/KOC (pH 7.4): 89008.59
    Polar Surface Area: 58 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 43.7±5.0 dyne/cm
    Molar Volume: 422.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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