ChemSpider 2D Image | (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.0~1,18~.0~3,17~.0~4,14~.0~7,12~.0~12,14~]tetracos-9-yl beta-D-xylopyranosi de | C35H54O8

(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-9-yl β-D-xylopyranosi de

  • Molecular FormulaC35H54O8
  • Average mass602.799 Da
  • Monoisotopic mass602.381897 Da
  • ChemSpider ID58802430

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-9-yl β-D-xylopyranosi 
de [ACD/IUPAC Name]
(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-isopropenyl-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-9-yl-β-D-xylopyranosi 
d [German] [ACD/IUPAC Name]
β-D-Xylopyranoside de (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-isopropényl-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tétracos -9-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (2S,4aR,5aS,7aR,7bR,8R,10R,11S,12aS,13R,13aS,13bR,15aR)-heptadecahydro-13-hydroxy-1,1,7a,8,13a-pentamethyl-11-(1-methylethenyl)-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1' :4,5]indeno[2,1-b]oxepin-2-yl [ACD/Index Name]
(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-22-prop-1-en-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
154822-57-8 [RN]
Cimiside E

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 723.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.3 mmHg at 25°C
    Enthalpy of Vaporization: 120.7±6.0 kJ/mol
    Flash Point: 391.6±32.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 160.2±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 6.81
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 869.57
    ACD/KOC (pH 5.5): 4421.33
    ACD/LogD (pH 7.4): 4.17
    ACD/BCF (pH 7.4): 869.56
    ACD/KOC (pH 7.4): 4421.31
    Polar Surface Area: 118 Å2
    Polarizability: 63.5±0.5 10-24cm3
    Surface Tension: 57.2±5.0 dyne/cm
    Molar Volume: 467.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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