(5As,12S,14As)-9-Methoxy-12-(2-Methyl-1-Propen-1-Yl)-1,2,3,5A,6,11,12,14A-Octahydro-5H,14H-Pyrrolo[1'',2'':4',5']Pyrazino[1',2':1,6]Pyrido[3,4-B]Indole-5,14-Dione

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Properties Simple | Detailed

Formula C22H25N3O3
IUPAC Name fumitremorgin c
Molecular Mass 379.452 g·mol−1
Heat of Formation -317.2 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 448.44 Å 3
Surface Area 385.75 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.05 ± eV
Point Group Symmetry C1
Synonyms
  • fumitremorgin c, <i>aspergillus. fumigatus
CAS Number(s)
  • 118974-02-0
InChIKey DBEYVIGIPJSTOR-FHWLQOOXSA-N
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