(2S,3R)-3-Chloro-2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-2,5,7-Trihydroxy-3-(3-Methyl-2-Buten-1-Yl)-2,3-Dihydro-1,4-Naphthalenedione

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Properties Simple | Detailed

Formula C25H31ClO5
IUPAC Name (2s,3r)-3-chloro-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)tetralin-1,4-dione
Molecular Mass 446.964 g·mol−1
Heat of Formation -897.7 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 538.09 Å 3
Surface Area 400.77 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-chloro-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
  • (2s,3r)-3-chloro-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)tetralin-1,4-dione
  • (2s,3r)-3-chloro-2-[(2e)-3,7-dimethylocta-2,6-dienyl]-2,5,7-trihydroxy-3-(3-methylbut-2-enyl)tetralin-1,4-quinone
  • 1,4-naphthalenedione, 3-chloro-2-(3,7-dimethyl-2,6-octadienyl)-2,3-dihydro-2,5,7-trihydroxy-3-(3-methyl-2-butenyl)-, (2s-(2alpha,2(e),3beta))-
  • naphthomevalin
CAS Number(s)
  • 135529-33-8
InChIKey DRVVWOVFACYRGZ-GFNWSNCPSA-N
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Elements H C O Cl