ChemSpider 2D Image | (1'S,2R,4R,4'S,5'R,6'R,10'S,12'R,16'R)-4,4',6',12',17',17'-Hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.0~4,12~.0~5,10~.0~16,22~]tetracosa[20,22]diene]-5,19'-dione | C30H42O6

(1'S,2R,4R,4'S,5'R,6'R,10'S,12'R,16'R)-4,4',6',12',17',17'-Hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa[20,22]diene]-5,19'-dione

  • Molecular FormulaC30H42O6
  • Average mass498.651 Da
  • Monoisotopic mass498.298126 Da
  • ChemSpider ID58839510

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1'S,2R,4R,4'S,5'R,6'R,10'S,12'R,16'R)-4,4',6',12',17',17'-Hexamethyl-3,4-dihydro-5H,19'H-spiro[furan-2,8'-[9,18,24]trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa[20,22]diene]-5,19'-dione [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: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 276.4±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 135.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1780.57
ACD/KOC (pH 5.5): 7384.94
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1780.57
ACD/KOC (pH 7.4): 7384.94
Polar Surface Area: 71 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 415.9±5.0 cm3

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