ChemSpider 2D Image | CIMICIFUGOSIDE H-2 | C35H54O10

CIMICIFUGOSIDE H-2

  • Molecular FormulaC35H54O10
  • Average mass634.797 Da
  • Monoisotopic mass634.371704 Da
  • ChemSpider ID8276122

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,9β,11β,24R)-11,24,25-Trihydroxy-16,23-dioxo-9,19-cyclolanost-7-en-3-yl β-D-xylopyranoside [ACD/IUPAC Name]
(3β,9β,11β,24R)-11,24,25-Trihydroxy-16,23-dioxo-9,19-cyclolanost-7-en-3-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
161097-77-4 [RN]
9,19-Cyclolanost-7-ene-16,23-dione, 11,24,25-trihydroxy-3-(β-D-xylopyranosyloxy)-, (3β,9β,11β,24R)- [ACD/Index Name]
CIMICIFUGOSIDE H-2
β-D-Xylopyranoside de (3β,9β,11β,24R)-11,24,25-trihydroxy-16,23-dioxo-9,19-cyclolanost-7-én-3-yle [French] [ACD/IUPAC Name]
(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one
cimicidol-3-O-β-xyloside
Cimicifugoside H 2
Cimicifugoside H2

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

CS0JEH28E6 [DBID]
UNII:CS0JEH28E6 [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: 801.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.4 mmHg at 25°C
    Enthalpy of Vaporization: 132.7±6.0 kJ/mol
    Flash Point: 248.0±27.8 °C
    Index of Refraction: 1.604
    Molar Refractivity: 164.3±0.4 cm3
    #H bond acceptors: 10
    #H bond donors: 6
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 3
    ACD/LogP: 2.81
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 20.20
    ACD/KOC (pH 5.5): 299.19
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 20.20
    ACD/KOC (pH 7.4): 299.19
    Polar Surface Area: 174 Å2
    Polarizability: 65.1±0.5 10-24cm3
    Surface Tension: 63.8±5.0 dyne/cm
    Molar Volume: 477.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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