2,4,6-Trihydroxy-5-{(1S)-1-[(1S,4As,6R,8As)-6-(2-Hydroxy-2-Propanyl)-8A-Methyl-4-Methylenedecahydro-1-Naphthalenyl]-3-Methylbutyl}Isophthalaldehyde

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Properties Simple | Detailed

Formula C28H40O6
IUPAC Name 5-[(1s)-1-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
Molecular Mass 472.614 g·mol−1
Heat of Formation -1237.7 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 586.67 Å 3
Surface Area 446.9 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1s)-1-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
  • 5-[(1s)-1-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methyl-ethyl)-8a-methyl-4-methylene-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-isophthalaldehyde
  • 5-[(1s)-1-[(1s,4as,6r,8as)-6-(1-hydroxy-1-methylethyl)-8a-methyl-4-methylene-1-decalinyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarboxaldehyde
  • 5-[(1s)-1-[(1s,4as,6r,8as)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
  • 5-[(1s)-1-[(1s,4as,6r,8as)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
InChIKey OOAOETHJYYAVCC-GNLPDQNGSA-N
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