ChemSpider 2D Image | (1'R,2S,3R,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-6-[(2E)-2-Buten-2-yl]-3,21',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 | C34H48O8

(1'R,2S,3R,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-6-[(2E)-2-Buten-2-yl]-3,21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6. 1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-2'-one

  • Molecular FormulaC34H48O8
  • Average mass584.740 Da
  • Monoisotopic mass584.334900 Da
  • ChemSpider ID8092024
  • 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,2S,3R,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-6-[(2E)-2-Buten-2-yl]-3,21',24'-trihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6. ;1.14,8.020,24]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: 780.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.1 mmHg at 25°C
Enthalpy of Vaporization: 129.4±6.0 kJ/mol
Flash Point: 245.2±26.4 °C
Index of Refraction: 1.587
Molar Refractivity: 159.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 6.61
ACD/LogD (pH 5.5): 5.53
ACD/BCF (pH 5.5): 9400.53
ACD/KOC (pH 5.5): 24298.08
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9400.41
ACD/KOC (pH 7.4): 24297.79
Polar Surface Area: 115 Å2
Polarizability: 63.2±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 474.5±5.0 cm3

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