ChemSpider 2D Image | (1'S,2'S,6R,7S,9'R,11'S)-9'-Methoxy-2,2,13',13'-tetramethyl-6,11'-bis(3-methyl-2-buten-1-yl)-6'H,10'H-spiro[chromene-7,4'-[3,5,12]trioxatetracyclo[7.4.1.0~2,7~.0~2,11~]tetradec[7]ene]-5,6',8,10'(2H,6H )-tetrone | C34H40O9

(1'S,2'S,6R,7S,9'R,11'S)-9'-Methoxy-2,2,13',13'-tetramethyl-6,11'-bis(3-methyl-2-buten-1-yl)-6'H,10'H-spiro[chromene-7,4'-[3,5,12]trioxatetracyclo[7.4.1.02,7.02,11]tetradec[7]ene]-5,6',8,10'(2H,6H )-tetrone

  • Molecular FormulaC34H40O9
  • Average mass592.676 Da
  • Monoisotopic mass592.267212 Da
  • ChemSpider ID9528757

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1'S,2'S,6R,7S,9'R,11'S)-9'-Methoxy-2,2,13',13'-tetramethyl-6,11'-bis(3-methyl-2-buten-1-yl)-6'H,10'H-spiro[chromene-7,4'-[3,5,12]trioxatetracyclo[7.4.1.02,7.02,11]tetradec[7]ene]-5,6',8,10'(2H,6H )-tetrone [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 310.9±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 154.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 240711.02
ACD/KOC (pH 5.5): 247542.39
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 240711.02
ACD/KOC (pH 7.4): 247542.39
Polar Surface Area: 114 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

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