ChemSpider 2D Image | cimiracemoside C | C35H56O9

cimiracemoside C

  • Molecular FormulaC35H56O9
  • Average mass620.814 Da
  • Monoisotopic mass620.392456 Da
  • ChemSpider ID28424402

  • 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-hydroxy-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 α-L- arabinopyranoside [ACD/IUPAC Name]
(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-Hydroxy-22-(2-hydroxy-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-α-L- arabinopyranosid [German] [ACD/IUPAC Name]
256925-92-5 [RN]
cimiracemoside C
α-L-Arabinopyranoside de (1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxy-2-propanyl)-3,8,8,17,19-pentaméthyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.0 12,14]tétracos-9-yle [French] [ACD/IUPAC Name]
α-L-Arabinopyranoside, (2S,4aR,5aS,7aR,7bR,8R,10R,11S,12aS,13R,13aS,13bR,15aR)-heptadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a] naphth[2',1':4,5]indeno[2,1-b]oxepin-2-yl [ACD/Index Name]
Cimicifugoside M
cimigenol 3-O-??-L-arabinopyranoside
Cimigenol-3-O-??-L-arabinoside
Cimigenol-3-O-α-L-arabinoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4DC28J6R1K [DBID]
UNII:4DC28J6R1K [DBID]
UNII-4DC28J6R1K [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: 740.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.5 mmHg at 25°C
    Enthalpy of Vaporization: 123.3±6.0 kJ/mol
    Flash Point: 401.5±32.9 °C
    Index of Refraction: 1.607
    Molar Refractivity: 162.2±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 5
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 3
    ACD/LogP: 5.82
    ACD/LogD (pH 5.5): 3.51
    ACD/BCF (pH 5.5): 273.39
    ACD/KOC (pH 5.5): 1931.32
    ACD/LogD (pH 7.4): 3.51
    ACD/BCF (pH 7.4): 273.39
    ACD/KOC (pH 7.4): 1931.31
    Polar Surface Area: 138 Å2
    Polarizability: 64.3±0.5 10-24cm3
    Surface Tension: 61.0±5.0 dyne/cm
    Molar Volume: 469.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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