ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,13'S,20'R,21'R,24'S)-6-Ethyl-12'-(2-furyl)-21',24'-dihydroxy-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~]pen tacosa[10,14,16,22]tetraen]-2'-one | C36H48O8

(1'R,2R,4'S,5S,6R,8'R,13'S,20'R,21'R,24'S)-6-Ethyl-12'-(2-furyl)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pen tacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC36H48O8
  • Average mass608.761 Da
  • Monoisotopic mass608.334900 Da
  • ChemSpider ID8006048

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(1'R,2R,4'S,5S,6R,8'R,13'S,20'R,21'R,24'S)-6-Ethyl-12'-(2-furyl)-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pen tacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 776.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.5±3.0 kJ/mol
Flash Point: 423.3±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40671.18
ACD/KOC (pH 5.5): 69328.28
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40670.64
ACD/KOC (pH 7.4): 69327.37
Polar Surface Area: 108 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 492.7±5.0 cm3

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