ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~ 4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C34H50O8

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID48062451

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-6-[(2S)-2-Butanyl]-12',21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]
(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24S)-6'-[(2S)-butan-2-yl]-12,21,24-trihydroxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
(6R,13S,25R)-5-O-demethyl-28-deoxy-6,28-epoxy-13-hydroxy-25-[(1S)-1-methylpropyl]-milbemycin B
73162-95-5 [RN]
IverMectin B1 Aglycon
Ivermectin B1a aglycone
Ivermectin Impurity G

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 776.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±6.0 mmHg at 25°C
    Enthalpy of Vaporization: 128.8±6.0 kJ/mol
    Flash Point: 243.1±26.4 °C
    Index of Refraction: 1.577
    Molar Refractivity: 159.7±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 2
    ACD/LogP: 5.43
    ACD/LogD (pH 5.5): 5.36
    ACD/BCF (pH 5.5): 7007.08
    ACD/KOC (pH 5.5): 19689.13
    ACD/LogD (pH 7.4): 5.36
    ACD/BCF (pH 7.4): 7006.99
    ACD/KOC (pH 7.4): 19688.88
    Polar Surface Area: 115 Å2
    Polarizability: 63.3±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 481.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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