ChemSpider 2D Image | (1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-Methoxy-4,5,5,6',10',12'-hexamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.0~1,10~.0~2,7~]hexadeca[2,4,6]triene]-3,8'-diol | C25H36O5

(1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-Methoxy-4,5,5,6',10',12'-hexamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.01,10.02,7]hexadeca[2,4,6]triene]-3,8'-diol

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID78438245

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'R,2S,3R,4S,8'R,10'R,11'R,12'S)-5'-Methoxy-4,5,5,6',10',12'-hexamethyl-4,5-dihydro-3H-spiro[furan-2,13'-[14]oxatetracyclo[9.3.2.01,10.02,7]hexadeca[2,4,6]triene]-3,8'-diol [ACD/IUPAC Name]
Blazeispirol 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: 564.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.1±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1108.53
ACD/KOC (pH 5.5): 5260.53
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1108.53
ACD/KOC (pH 7.4): 5260.53
Polar Surface Area: 68 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 341.3±5.0 cm3

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