ChemSpider 2D Image | (1S,4R,7S,9beta,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl beta-D-glucopyranoside | C36H56O8

(1S,4R,7S,9β,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl β-D-glucopyranoside

  • Molecular FormulaC36H56O8
  • Average mass616.825 Da
  • Monoisotopic mass616.397522 Da
  • ChemSpider ID57620822

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,4R,7S,9β,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1S,4R,7S,9β,23E)-9-Formyl-1-hydroxy-10,14-dimethyl-4,9-cyclo-9,10-secocholesta-5,23,25-trien-7-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Estr-5-ene-9-carboxaldehyde, 17-[(1R,3E)-1,5-dimethyl-3,5-hexadien-1-yl]-7-(β-D-glucopyranosyloxy)-3-hydroxy-4,4,14-trimethyl-, (3β,7β,9β,10α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (1S,4R,7S,9β,23E)-9-formyl-1-hydroxy-10,14-diméthyl-4,9-cyclo-9,10-sécocholesta-5,23,25-trién-7-yle [French] [ACD/IUPAC Name]
(3S,7S,8S,9R,10R,13R,14S,17R)-3-hydroxy-4,4,13,14-tetramethyl-17-[(2R,4E)-6-methylhepta-4,6-dien-2-yl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
1041631-93-9 [RN]
kuguaglycoside C
MFCD21364048

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 734.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 122.3±6.0 kJ/mol
    Flash Point: 222.4±26.4 °C
    Index of Refraction: 1.581
    Molar Refractivity: 169.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: 5.18
    ACD/LogD (pH 5.5): 4.51
    ACD/BCF (pH 5.5): 1570.22
    ACD/KOC (pH 5.5): 6749.43
    ACD/LogD (pH 7.4): 4.51
    ACD/BCF (pH 7.4): 1570.21
    ACD/KOC (pH 7.4): 6749.38
    Polar Surface Area: 137 Å2
    Polarizability: 67.0±0.5 10-24cm3
    Surface Tension: 54.8±5.0 dyne/cm
    Molar Volume: 506.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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