ChemSpider 2D Image | (1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4E)-6-Methoxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.0~1,13~.0~4,12~.0~5,9~]nonadec-2-en-16-yl beta-D-glucopyranoside | C37H60O8

(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4E)-6-Methoxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl β-D-glucopyranoside

  • Molecular FormulaC37H60O8
  • Average mass632.867 Da
  • Monoisotopic mass632.428833 Da
  • ChemSpider ID23311355

  • 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

(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4E)-6-Methoxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4E)-6-Methoxy-6-methyl-4-hepten-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3S,5R,8S,9S,10S,13R,14S,17R)-17-[(2R,4E)-6-methoxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-2H-5,9-(epoxymethano)cyclopenta[a]phenanthren-3-yl β-D-glucopyranoside
β-D-Glucopyranoside de (1R,4S,5S,8R,9R,12S,13S,16S)-8-[(2R,4E)-6-méthoxy-6-méthyl-4-heptén-2-yl]-5,9,17,17-tétraméthyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadéc-2-én-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-17-[(1R,3E)-5-methoxy-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopent a[a]phenanthren-3-yl [ACD/Index Name]
β-D-glucopyranoside, (3S,5R,8S,9S,10S,13R,14S,17R)-1,3,4,8,10,11,12,13,14,15,16,17-dodecahydro-17-[(1R,3E)-5-methoxy-1,5-dimethyl-3-hexen-1-yl]-4,4,13,14-tetramethyl-5,9-(epoxymethano)-2H-cyclopenta[a]phenanthren-3-yl
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1R,4S,5S,8R,9R,12S,13S,16S)-8-[(E,2R)-6-methoxy-6-methylhept-4-en-2-yl]-5,9,17,17-tetramethyl-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadec-2-en-16-yl]oxy]oxane-3,4,5-triol
81348-81-4 [RN]
momordicoside F1

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 711.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.2 mmHg at 25°C
    Enthalpy of Vaporization: 118.9±6.0 kJ/mol
    Flash Point: 384.0±32.9 °C
    Index of Refraction: 1.574
    Molar Refractivity: 173.9±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.40
    ACD/LogD (pH 5.5): 4.94
    ACD/BCF (pH 5.5): 3367.98
    ACD/KOC (pH 5.5): 11654.28
    ACD/LogD (pH 7.4): 4.94
    ACD/BCF (pH 7.4): 3367.96
    ACD/KOC (pH 7.4): 11654.20
    Polar Surface Area: 118 Å2
    Polarizability: 68.9±0.5 10-24cm3
    Surface Tension: 52.3±5.0 dyne/cm
    Molar Volume: 527.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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