ChemSpider 2D Image | (1'R,3R,4S,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[2,4,6,8]tetraen]-3-ol | C25H34O4

(1'R,3R,4S,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[2,4,6,8]tetraen]-3-ol

  • Molecular FormulaC25H34O4
  • Average mass398.535 Da
  • Monoisotopic mass398.245697 Da
  • ChemSpider ID78436591

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(1'R,3R,4S,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[2,4,6,8]tetraen]-3-ol [ACD/IUPAC Name]
Blazeispirol A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 525.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 271.5±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6990.37
ACD/KOC (pH 5.5): 19655.51
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6990.37
ACD/KOC (pH 7.4): 19655.51
Polar Surface Area: 48 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 336.8±5.0 cm3

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