Ergosinine

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Properties Simple | Detailed

Formula C30H37N5O5
IUPAC Name (6ar,9r)-n-[(1s,2s,4r,7s)-2-hydroxy-7-isobutyl-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4h-indolo[4,3-fg]quinoline-9-carboxamide
Molecular Mass 547.645 g·mol−1
Heat of Formation -705.9 ± 16.7 kJ·mol−1
Dipole Moment 7.86 ± 1.08 D
Volume 649.31 Å 3
Surface Area 517.16 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-ergosine
  • ergosine
  • ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)- (9ci)
CAS Number(s)
  • 561-94-4
InChIKey NESVMZOPWPCFAU-ZPRCMDFASA-N
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