(5Ar,6S,12S,14As)-5A,6-Dihydroxy-9-Methoxy-11-(3-Methylbut-2-En-1-Yl)-12-(2-Methylprop-1-En-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 C27H33N3O5
IUPAC Name (5ar,6s,12s,14as)-5a,6-dihydroxy-9-methoxy-11-(3-methylbut-2-en-1-yl)-12-(2-methylprop-1-en-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
Molecular Mass 479.568 g·mol−1
Heat of Formation -699.7 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 580.84 Å 3
Surface Area 434.8 Å 2
HOMO Energy -8.21 ± 0.55 eV
LUMO Energy 2.90 ± eV
Point Group Symmetry C1
Synonyms
  • 5h,14h-pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5ar,6s,12s,14as)-
  • 5h,14h-pyrrolo(1'',2'':4',5')pyrazino(1',2':1,6)pyrido(3,4-b)indole-5,14-dione, 1,2,3,5a,6,11,12,14a-octahydro-5a,6-dihydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-, (5ar-(5a-alpha,6-alpha,12-beta,14a-alpha))-
  • fumitremorgin b
  • lanosulin
CAS Number(s)
  • 12626-17-4
InChIKey WEIYXEFMCIRZHC-MWGWWEMPSA-N
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