ChemSpider 2D Image | Cyclomusalenone | C30H48O

Cyclomusalenone

  • Molecular FormulaC30H48O
  • Average mass424.702 Da
  • Monoisotopic mass424.370514 Da
  • ChemSpider ID33823757
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(4α,5α,9β,20R)-4,14-Dimethyl-9,19-cycloergost-25-en-3-on [German] [ACD/IUPAC Name]
(4α,5α,9β,20R)-4,14-Dimethyl-9,19-cycloergost-25-en-3-one [ACD/IUPAC Name]
(4α,5α,9β,20R)-4,14-Diméthyl-9,19-cycloergost-25-én-3-one [French] [ACD/IUPAC Name]
30452-60-9 [RN]
9,19-Cycloergost-25-en-3-one, 4,14-dimethyl-, (4α,5α,9β,20R)- [ACD/Index Name]
Cyclomusalenone
(1S,3R,7S,8S,11S,12S,15R,16R)-15-[(2R,5S)-5,6-dimethylhept-6-en-2-yl]-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
[30452-60-9] [RN]
MFCD22417335

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.0±0.1 g/cm3
    Boiling Point: 505.8±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.6±3.0 kJ/mol
    Flash Point: 211.2±16.5 °C
    Index of Refraction: 1.529
    Molar Refractivity: 130.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: 9.96
    ACD/LogD (pH 5.5): 8.55
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1060730.88
    ACD/LogD (pH 7.4): 8.55
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1060730.88
    Polar Surface Area: 17 Å2
    Polarizability: 51.7±0.5 10-24cm3
    Surface Tension: 37.8±5.0 dyne/cm
    Molar Volume: 422.7±5.0 cm3

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