ChemSpider 2D Image | (1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-Ethoxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-2-en-16-ol | C32H52O4

(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-Ethoxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol

  • Molecular FormulaC32H52O4
  • Average mass500.753 Da
  • Monoisotopic mass500.386566 Da
  • ChemSpider ID58802272

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-Ethoxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [German] [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-Ethoxy-8-[(2R,4E)-6-hydroxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-ol [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S,19R)-19-Éthoxy-8-[(2R,4E)-6-hydroxy-6-méthyl-4-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-ol [French] [ACD/IUPAC Name]
5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthren-3-ol, 18-ethoxy-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-, (3S,5R,8S,9S,10S,13R ,14S,17R,18R)- [ACD/Index Name]
1301267-02-6 [RN]
5,9-(Epoxymethano)-2H-cyclopenta[a]phenanthren-3-ol, 20-ethoxy-17-[(1R,3E)-5-hydroxy-1,5-dimethyl-3-hexen-1-yl]-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-4,4,13,14-tetramethyl-, (3S,5R,8S,9S,10S,13R,14S,17R,20R)-

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 588.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 100.8±6.0 kJ/mol
    Flash Point: 309.7±30.1 °C
    Index of Refraction: 1.553
    Molar Refractivity: 146.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.76
    ACD/LogD (pH 5.5): 6.32
    ACD/BCF (pH 5.5): 37129.31
    ACD/KOC (pH 5.5): 64951.14
    ACD/LogD (pH 7.4): 6.32
    ACD/BCF (pH 7.4): 37129.31
    ACD/KOC (pH 7.4): 64951.14
    Polar Surface Area: 59 Å2
    Polarizability: 58.0±0.5 10-24cm3
    Surface Tension: 44.5±5.0 dyne/cm
    Molar Volume: 456.9±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement