(6As)-5-Chloro-9-[(2S,3R)-3-Hydroxy-2-Methylbutanoyl]-6A-Methyl-3-[(1E,3S)-3-Methyl-1-Penten-1-Yl]-6H-Furo[2,3-H]Isochromene-6,8(6Ah)-Dione

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Properties Simple | Detailed

Formula C23H25ClO6
IUPAC Name (6as)-5-chloro-9-[(2s,3r)-3-hydroxy-2-methyl-butanoyl]-6a-methyl-3-[(e,3s)-3-methylpent-1-enyl]furo[2,3-h]isochromene-6,8-dione
Molecular Mass 432.894 g·mol−1
Heat of Formation -891.4 ± 16.7 kJ·mol−1
Dipole Moment 9.27 ± 1.08 D
Volume 503.61 Å 3
Surface Area 426.84 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.34 ± eV
Point Group Symmetry C1
Synonyms
  • (6as)-5-chloro-9-[(2s,3r)-3-hydroxy-2-methyl-1-oxobutyl]-6a-methyl-3-[(e,3s)-3-methylpent-1-enyl]furo[5,4-h]isochromene-6,8-dione
  • (6as)-5-chloro-9-[(2s,3r)-3-hydroxy-2-methyl-butanoyl]-6a-methyl-3-[(e,3s)-3-methylpent-1-enyl]furo[5,4-h]isochromene-6,8-dione
  • (6as)-5-chloro-9-[(2s,3r)-3-hydroxy-2-methyl-butanoyl]-6a-methyl-3-[(e,3s)-3-methylpent-1-enyl]furo[5,4-h]isochromene-6,8-quinone
  • (6as)-5-chloro-9-[(2s,3r)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(e,3s)-3-methylpent-1-enyl]furo[5,4-h]isochromene-6,8-dione
  • 6h-furo[2,3-h]-2-benzopyran-6,8(6ah)-dione, 5-chloro-9-[(2s,3r)-3-hydroxy-20methyl-1-oxobutyl]-6a-methyl-3-[(1e,3s)-3-methyl-1-pentenyl)-,(6as)
  • chaetoviridin a
CAS Number(s)
  • 128252-98-2
InChIKey HWSQVPGTQUYLEQ-CCBHEJLASA-N
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