(2S)-4-Butyl-2-{[(3Ar,8As)-3A-Hydroxy-2,3,3A,8A-Tetrahydro-8H-Furo[2,3-B]Indol-8-Yl]Methyl}-2,5-Dimethyl-4-Cyclopentene-1,3-Dione

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Properties Simple | Detailed

Formula C22H27NO4
IUPAC Name (2s)-2-[[(3as,4r,8br)-8b-hydroxy-2,3a-dihydro-1h-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethyl-cyclopent-4-ene-1,3-dione
Molecular Mass 369.454 g·mol−1
Heat of Formation -603.6 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 450.19 Å 3
Surface Area 354.68 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[[(3as,8br)-8b-hydroxy-2,3a-dihydro-1h-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethyl-cyclopent-4-ene-1,3-dione
  • (2s)-2-[[(3as,8br)-8b-hydroxy-2,3a-dihydro-1h-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethyl-cyclopent-4-ene-1,3-quinone
  • (2s)-2-[[(3as,8br)-8b-hydroxy-2,3a-dihydro-1h-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione
InChIKey XPVQXXLKOCZMGG-FDFHNCONSA-N
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