[(2S)-2-{(1R)-1-Hydroxy-2-[(1S,2S,3R,4As,8As)-3-Hydroxy-1,2,4A,5-Tetramethyl-4-Oxo-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl]Ethyl}-2-Oxiranyl](Oxo)Acetaldehyde

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Properties Simple | Detailed

Formula C20H28O6
IUPAC Name 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxy-ethyl]oxiran-2-yl]-2-oxo-acetaldehyde
Molecular Mass 364.433 g·mol−1
Heat of Formation -906.9 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 439.46 Å 3
Surface Area 336.88 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxy-ethyl]oxiran-2-yl]-2-oxo-acetaldehyde
  • 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxy-ethyl]oxiran-2-yl]-2-oxo-ethanal
  • 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxyethyl]-2-oxiranyl]-2-oxoacetaldehyde
  • 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxyethyl]oxiran-2-yl]-2-oxoacetaldehyde
  • 2-[(2s)-2-[(1r)-2-[(1s,2s,3r,4as,8as)-3-hydroxy-4-keto-1,2,4a,5-tetramethyl-3,7,8,8a-tetrahydro-2h-naphthalen-1-yl]-1-hydroxy-ethyl]oxiran-2-yl]-2-keto-acetaldehyde
  • antibiotic mf 730n6
  • mf 730n6
  • oxiraneacetaldehyde, 2-(1-hydroxy-2-(1,2,3,4,4a,7,8,8a-octahydro-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1-naphthalenyl)ethyl)-alpha-oxo-, (1-alpha(s*(r*)),2-alpha,3-beta,4a-beta,8a-alpha)-
  • terpentecin
CAS Number(s)
  • 100440-25-3
InChIKey ISTOHHFNKVUOKP-BRUMOIPRSA-N
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