ChemSpider 2D Image | (6alpha,7E,18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al | C25H36O4

(6α,7E,18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID31118877

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(6α,7E,18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al [German] [ACD/IUPAC Name]
(6α,7E,18R)-3-Hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al [ACD/IUPAC Name]
(6α,7E,18R)-3-Hydroxy-5-oxo-14,18-époxyophiobola-7,19-dién-25-al [French] [ACD/IUPAC Name]
Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carboxaldehyde, 1,3a,4,4',5',6a,7,8,9,9a,10,10a-dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-7-oxo-, (3S,3'S,3aR,5E,5' R,6aR,9R,9aS,10aR)- [ACD/Index Name]
6-epi-Ophiobolin A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 539.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 93.9±6.0 kJ/mol
Flash Point: 177.8±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.63
ACD/BCF (pH 5.5): 336.03
ACD/KOC (pH 5.5): 2238.64
ACD/LogD (pH 7.4): 3.63
ACD/BCF (pH 7.4): 336.03
ACD/KOC (pH 7.4): 2238.63
Polar Surface Area: 64 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

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