ChemSpider 2D Image | brevione F | C27H32O5

brevione F

  • Molecular FormulaC27H32O5
  • Average mass436.540 Da
  • Monoisotopic mass436.224976 Da
  • ChemSpider ID24625776

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

Featured data source
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1-Hydroxy-3,4a,6',7,7',11a-hexamethyl-4a,5,6,6a,11a,11b-hexahydro-3'H,4'H-spiro[cyclohepta[a]naphthalene-4,2'-furo[3,2-c]pyran]-4',9(1H)-dione [ACD/IUPAC Name]
brevione F
Spiro[4H-cyclohepta[a]naphthalene-4,2'(3'H)-[4H]furo[3,2-c]pyran]-4',9(1H)-dione, 4a,5,6,6a,11a,11b-hexahydro-1-hydroxy-3,4a,6',7,7',11a-hexamethyl- [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: 605.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.3±6.0 kJ/mol
Flash Point: 202.1±25.0 °C
Index of Refraction: 1.606
Molar Refractivity: 120.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3494.92
ACD/KOC (pH 5.5): 11967.05
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3494.92
ACD/KOC (pH 7.4): 11967.04
Polar Surface Area: 73 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 348.8±5.0 cm3

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