ChemSpider 2D Image | 25-O-methylcimigenol-3-O-?-D-xyloside | C36H58O9

25-O-methylcimigenol-3-O-?-D-xyloside

  • Molecular FormulaC36H58O9
  • Average mass634.840 Da
  • Monoisotopic mass634.408081 Da
  • ChemSpider ID52083798

  • 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-(2-methoxy-2-propanyl)-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-x ylopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-methoxy-2-propanyl)-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-x ylopyranosid [German] [ACD/IUPAC Name]
25-O-methylcimigenol-3-O-?-D-xyloside
27994-13-4 [RN]
β-D-Xylopyranoside de (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-méthoxy-2-propanyl)-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,1 4]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-11-(1-methoxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naph th[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-22-(2-methoxypropan-2-yl)-3,8,8,17,19-pentamethyl-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
25-O-Methylcimigenol-3-O-β-D-xylopyranoside
25-O-Methylcimigenol-3-o-β-D-xyloside
25-O-METHYLCIMIGENOL-3-O-β-D-XYLOSIDE

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

W8WIS748XQ [DBID]
UNII:W8WIS748XQ [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 730.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.4 mmHg at 25°C
    Enthalpy of Vaporization: 121.7±6.0 kJ/mol
    Flash Point: 395.4±32.9 °C
    Index of Refraction: 1.591
    Molar Refractivity: 167.0±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: 6.14
    ACD/LogD (pH 5.5): 4.10
    ACD/BCF (pH 5.5): 768.92
    ACD/KOC (pH 5.5): 4048.69
    ACD/LogD (pH 7.4): 4.10
    ACD/BCF (pH 7.4): 768.92
    ACD/KOC (pH 7.4): 4048.67
    Polar Surface Area: 127 Å2
    Polarizability: 66.2±0.5 10-24cm3
    Surface Tension: 56.6±5.0 dyne/cm
    Molar Volume: 494.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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