ChemSpider 2D Image | (3S,4aR,5S,6R,6aR,10aS,10bR)-4a,6a,10b-Trimethyl-7-methylene-5'-oxotetradecahydrospiro[benzo[f]chromene-3,3'-furan]-5,6-diyl dibenzoate | C34H38O7

(3S,4aR,5S,6R,6aR,10aS,10bR)-4a,6a,10b-Trimethyl-7-methylene-5'-oxotetradecahydrospiro[benzo[f]chromene-3,3'-furan]-5,6-diyl dibenzoate

  • Molecular FormulaC34H38O7
  • Average mass558.661 Da
  • Monoisotopic mass558.261780 Da
  • ChemSpider ID8778284

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,4aR,5S,6R,6aR,10aS,10bR)-4a,6a,10b-Trimethyl-7-methylene-5'-oxotetradecahydrospiro[benzo[f]chromene-3,3'-furan]-5,6-diyl dibenzoate [ACD/IUPAC Name]
Spiro[furan-3(2H),3'-[3H]naphtho[2,1-b]pyran]-5(4H)-one, 5',6'-bis(benzoyloxy)dodecahydro-4'a,6'a,10'b-trimethyl-7'-methylene-, (3S,4a'R,5'S,6'R,6a'R,10a'S,10b'R)- [ACD/Index 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: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 280.6±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.52
ACD/LogD (pH 5.5): 7.18
ACD/BCF (pH 5.5): 167160.83
ACD/KOC (pH 5.5): 190676.13
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 167160.83
ACD/KOC (pH 7.4): 190676.13
Polar Surface Area: 88 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 53.3±5.0 dyne/cm
Molar Volume: 445.1±5.0 cm3

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