ChemSpider 2D Image | (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,18'S,20'R,21'R,24'S)-18'-Ethoxy-6-ethyl-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~]pentacosa[10,14,16,22]tetraen]-2'-one | C34H50O8

(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,18'S,20'R,21'R,24'S)-18'-Ethoxy-6-ethyl-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 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC34H50O8
  • Average mass586.756 Da
  • Monoisotopic mass586.350586 Da
  • ChemSpider ID8320562

  • 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,4'S,5S,6R,8'R,10'E,13'R,14'E,16'Z,18'S,20'R,21'R,24'S)-18'-Ethoxy-6-ethyl-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 4,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.5±6.0 kJ/mol
Flash Point: 235.5±26.4 °C
Index of Refraction: 1.566
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.21
ACD/BCF (pH 5.5): 30913.63
ACD/KOC (pH 5.5): 56968.31
ACD/LogD (pH 7.4): 6.21
ACD/BCF (pH 7.4): 30912.75
ACD/KOC (pH 7.4): 56966.69
Polar Surface Area: 104 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 490.0±5.0 cm3

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