(1S)-1-{3-[(2S,4R,9A'S)-1'-Hydroxy-2',2'-Dimethyl-3',5-Dioxo-1',2',3',4,5,9A'-Hexahydro-3H-Spiro[Furan-2,9'-Imidazo[1,2-A]Indol]-4-Yl]-4-Oxo-3,4-Dihydro-2-Quinazolinyl}-2-Methylpropyl Acetate

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Properties Simple | Detailed

Formula C29H30N4O7
IUPAC Name [(1s)-1-[3-[(3s,3'r,3as,4s)-3-hydroxy-2,2-dimethyl-1,2'-dioxo-spiro[3ah-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl]-4-oxo-quinazolin-2-yl]-2-methyl-propyl] acetate
Molecular Mass 546.571 g·mol−1
Heat of Formation -849.9 ± 16.7 kJ·mol−1
Dipole Moment 6.78 ± 1.08 D
Volume 625.37 Å 3
Surface Area 488.91 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (9'r-(9'alpha(4s*(r*)),9'abeta))-4-(2-(1-(acetyloxy)-2-methylpropyl)-4-oxo-3(4h)-quinazolinyl)-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethylspiro(furan-2(5h),9'-(9h)imidazo(1,2-a) indole)-3',5(2'h)-dione
  • [(1s)-1-[3-[(3'r,3as,4s)-3-hydroxy-2,2-dimethyl-1,2'-dioxo-spiro[3ah-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxo-quinazolin-2-yl]-2-methyl-propyl] ethanoate
  • [(1s)-1-[3-[(3'r,3as,4s)-3-hydroxy-2,2-dimethyl-1,2'-dioxo-spiro[3ah-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl]-4-oxo-quinazolin-2-yl]-2-methyl-propyl] acetate
  • acetic acid [(1s)-1-[3-[(3'r,3as,4s)-3-hydroxy-1,2'-diketo-2,2-dimethyl-spiro[3ah-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]-3'-yl]-4-keto-quinazolin-2-yl]-2-methyl-propyl] ester
  • acetic acid [(1s)-1-[3-[(3'r,3as,4s)-3-hydroxy-2,2-dimethyl-1,2'-dioxo-3'-spiro[3ah-imidazo[1,2-a]indole-4,5'-tetrahydrofuran]yl]-4-oxo-2-quinazolinyl]-2-methylpropyl] ester
  • spiro(furan-2(5h),9'-(9h)imidazo(1,2-a)indole)-3',5(2'h)-dione, 4-(2-((1s)-1-(acetyloxy)-2-methylpropyl)-4-oxo-3(4h)-quinazolinyl)-1',3,4,9'a-tetrahydro-1'-hydroxy-2',2'-dimethyl-, (2s,4r,9'as)-
  • tryptoquivaline
CAS Number(s)
  • 55387-45-6
InChIKey CYNVLFGDEQQUPE-LDWWEUSWSA-N
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