ChemSpider 2D Image | STEVENLEAF | C47H80O17

STEVENLEAF

  • Molecular FormulaC47H80O17
  • Average mass917.128 Da
  • Monoisotopic mass916.539551 Da
  • ChemSpider ID24667697

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,12β)-3-(β-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-én-20-yle [French] [ACD/IUPAC Name]
80321-63-7 [RN]
Gypenoside IX
STEVENLEAF
β-D-Glucopyranoside, (3β,12β)-3-(β-D-glucopyranosyloxy)-12-hydroxydammar-24-en-20-yl 6-O-β-D-xylopyranosyl- [ACD/Index Name]
(2R,3R,4S,5S,6R)-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((S)-6-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)hept-5-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
[1207861-69-5] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 982.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 162.3±6.0 kJ/mol
    Flash Point: 548.0±34.3 °C
    Index of Refraction: 1.607
    Molar Refractivity: 232.0±0.4 cm3
    #H bond acceptors: 17
    #H bond donors: 11
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 4
    ACD/LogP: 5.41
    ACD/LogD (pH 5.5): 3.37
    ACD/BCF (pH 5.5): 213.67
    ACD/KOC (pH 5.5): 1617.92
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 213.67
    ACD/KOC (pH 7.4): 1617.92
    Polar Surface Area: 278 Å2
    Polarizability: 92.0±0.5 10-24cm3
    Surface Tension: 69.5±5.0 dyne/cm
    Molar Volume: 672.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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