Asmarine G

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Formula C26H39N5O
IUPAC Name (10s)-10-[2-[(1s,2r,4ar,8ar)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]ethyl]-9-methoxy-10-methyl-1,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene
Molecular Mass 437.621 g·mol−1
Heat of Formation 110.3 ± 16.7 kJ·mol−1
Dipole Moment 8.41 ± 1.08 D
Volume 550.26 Å 3
Surface Area 413.73 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (9s)-10-methoxy-9-methyl-9-{2-[(1s,2r,4ar,8ar)-1,2,4a-trimethyl-5-methylenedecahydronaphthalen-1-yl]ethyl}-7,8,9,10-tetrahydro[1,4]diazepino[1,2,3-gh]purine
  • 6-methoxy-7-methyl-[2-(1,2,4a-trimethyl-5-methylene-decahydro-naphthalen-1-yl)-ethyl]-6,7,8,9-tetrahydro-2,3,5,6,9a-pentaaza-benzo[cd]azulene
  • [1,4]diazepino[1,2,3-gh]purine, 9-[2-[(1s,2r,4ar,8ar)-decahydro-1,2,4a-trimethyl-5-methylene-1-naphthalenyl]ethyl]-7,8,9,10-tetrahydro-10-methoxy-9-methyl-, (9s)-
InChIKey DKZOPFDEEROAIQ-IDSXKDCHSA-N
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