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

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Properties Simple | Detailed

Formula C28H42O7
IUPAC Name 5-[(1s)-1-[(1s,4r,4ar,6r,8as)-4-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,8a-dimethyl-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
Molecular Mass 490.629 g·mol−1
Heat of Formation -1482.9 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 599.97 Å 3
Surface Area 457.55 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(1s)-1-[(1s,4r,4ar,6r,8as)-4-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,8a-dimethyl-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
  • 5-[(1s)-1-[(1s,4r,4ar,6r,8as)-4-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,8a-dimethyl-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-isophthalaldehyde
  • 5-[(1s)-1-[(1s,4r,4ar,6r,8as)-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-decalinyl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarboxaldehyde
  • 5-[(1s)-1-[(1s,4r,4ar,6r,8as)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-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,4r,4ar,6r,8as)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
InChIKey PXQFFMATXFLUPK-CHKSIUCGSA-N
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