ChemSpider 2D Image | (1'R,2R,4S,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-4,24'-Dihydroxy-21'-methoxy-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]triox
atetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one | C37H54O8

(1'R,2R,4S,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-4,24'-Dihydroxy-21'-methoxy-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]triox atetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC37H54O8
  • Average mass626.820 Da
  • Monoisotopic mass626.381897 Da
  • ChemSpider ID8276025
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres


More details:






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

(1'R,2R,4S,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-4,24'-Dihydroxy-21'-methoxy-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]triox ;atetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 772.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.2±6.0 kJ/mol
Flash Point: 235.4±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 173.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.61
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 107478.72
ACD/KOC (pH 5.5): 138995.00
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 107477.54
ACD/KOC (pH 7.4): 138993.47
Polar Surface Area: 104 Å2
Polarizability: 68.8±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 531.9±5.0 cm3

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