(+)-Ophiobolin A

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Formula C25H36O4
IUPAC Name (1'r,2s,3s,3's,4'r,5r,7's,8'e,11'r)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxo-spiro[tetrahydrofuran-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde
Molecular Mass 400.551 g·mol−1
Heat of Formation -762.3 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 509.03 Å 3
Surface Area 397.36 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (18r)-14,18-epoxy-3-hydroxy-5-oxoophiobola-7,19-dien-25-al
  • (18r)-3-hydroxy-5-oxo-14,18-epoxyophiobola-7,19-dien-25-al
  • cochliobolin
  • cochliobolin a
  • lmpr01050002
  • ophiobolin a
  • ophiobolin- a from helminthosporium sp.
  • spiro(dicyclopenta(a,d)cyclooctene-3(2h),2'(3'h)-furan)-6-carboxaldehyde, 1,3a,4,4',5',6a,7,8,9a,10,10a-dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methyl-1-propenyl)-7-oxo-, (2's,3's,3ar,5'r,6as,9r,9as,10ar)-
CAS Number(s)
  • 4611-05-6
InChIKey MWYYLZRWWNBROW-BDZRSQQBSA-N
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