Atomaric Acid

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Properties Simple | Detailed

Formula C28H42O4
IUPAC Name 3-[(1s,4ar,5s,6r,8ar)-5-[(2-hydroxy-5-methoxy-3-methyl-phenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propanoic acid
Molecular Mass 442.631 g·mol−1
Heat of Formation -899.2 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 575.85 Å 3
Surface Area 422.69 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 3.32 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1s,4ar,5s,6r,8ar)-5-(2-hydroxy-5-methoxy-3-methyl-benzyl)-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propionic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5-[(2-hydroxy-5-methoxy-3-methyl-phenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5-[(2-hydroxy-5-methoxy-3-methyl-phenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-1-decalinyl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5-[(2-hydroxy-5-methoxy-3-methylphenyl)methyl]-5,6,8a-trimethyl-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]propanoic acid
InChIKey OZFVNSYPXRUABC-CDFQXQCSSA-N
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