ChemSpider 2D Image | Anhydroophiobolin A | C25H34O3

Anhydroophiobolin A

  • Molecular FormulaC25H34O3
  • Average mass382.536 Da
  • Monoisotopic mass382.250793 Da
  • ChemSpider ID30829421

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(7E,18R)-5-Oxo-14,18-epoxyophiobola-3,7,19-trien-25-al [German] [ACD/IUPAC Name]
(7E,18R)-5-Oxo-14,18-epoxyophiobola-3,7,19-trien-25-al [ACD/IUPAC Name]
(7E,18R)-5-Oxo-14,18-époxyophiobola-3,7,19-trién-25-al [French] [ACD/IUPAC Name]
6026-65-9 [RN]
Anhydroophiobolin A
Spiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carboxaldehyde, 1,3a,4,4',5',6a,7,9a,10,10a-decahydro-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-7-oxo-, (3S,3'S,3aR,5E,5'R,6aS,9aS,10aR)- [ACD/Index Name]
(18R)-5-Oxo-14,18-epoxy-3,4-didehydroophiobola-7,19-diene-25-al
(1'R,2S,3S,3'S,5R,7'S,8'E,11'R)-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradeca-4,8-diene]-8'-carbaldehyde
(2'S,3'S,3aR,5'R,6aS,9aS,10aR)-2,3a,4,4',5',6a,7,9a,10,10a-decahydro-3',9,10a-trimethyl-5'-(2-methyl-1-propen-1-yl)-7-oxo-spiro[dicyclopenta[a,d]cyclooctene-3(1H),2'(3'H)-furan]-6-carboxaldehyde
Anhydroophiobolin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 520.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 223.9±30.2 °C
Index of Refraction: 1.552
Molar Refractivity: 110.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2413.60
ACD/KOC (pH 5.5): 9181.37
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2413.60
ACD/KOC (pH 7.4): 9181.37
Polar Surface Area: 43 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 346.8±5.0 cm3

Click to predict properties on the Chemicalize site


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