ChemSpider 2D Image | (1'S,2'S,6R,7S,9'R,11'R)-9'-Hydroxy-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 | C33H38O9

(1'S,2'S,6R,7S,9'R,11'R)-9'-Hydroxy-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 FormulaC33H38O9
  • Average mass578.649 Da
  • Monoisotopic mass578.251587 Da
  • ChemSpider ID8778659

  • 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'R)-9'-Hydroxy-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: 770.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 247.4±26.4 °C
Index of Refraction: 1.610
Molar Refractivity: 150.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 6.82
ACD/BCF (pH 5.5): 89890.72
ACD/KOC (pH 5.5): 122305.97
ACD/LogD (pH 7.4): 6.82
ACD/BCF (pH 7.4): 89834.97
ACD/KOC (pH 7.4): 122230.12
Polar Surface Area: 125 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 56.7±5.0 dyne/cm
Molar Volume: 432.7±5.0 cm3

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