Stypoquinonic Acid

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Properties Simple | Detailed

Formula C27H38O4
IUPAC Name 3-[(1s,4ar,5s,6r,8ar)-2-isopropylidene-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methyl]decalin-1-yl]propanoic acid
Molecular Mass 426.588 g·mol−1
Heat of Formation -797.9 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 557.15 Å 3
Surface Area 395.45 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(1s,4ar,5s,6r,8ar)-2-isopropylidene-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-1-decalinyl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-2-isopropylidene-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]decalin-1-yl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]propanoic acid
  • 3-[(1s,4ar,5s,6r,8ar)-5-[(3,6-diketo-5-methyl-1-cyclohexa-1,4-dienyl)methyl]-2-isopropylidene-5,6,8a-trimethyl-decalin-1-yl]propionic acid
InChIKey UKTQYWBDQDXWDJ-NTNJQHIWSA-N
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