Makassaric Acid

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Properties Simple | Detailed

Formula C27H38O3
IUPAC Name 3-[[(1r,4ar,4bs,8as,10as)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthren-1-yl]methyl]-4-hydroxy-benzoic acid
Molecular Mass 410.589 g·mol−1
Heat of Formation -678.1 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 522.26 Å 3
Surface Area 402.43 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[(1r,4ar,4bs,8as,10as)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthren-1-yl]methyl]-4-hydroxy-benzoic acid
  • 3-[[(1r,4ar,4bs,8as,10as)-2,4b,8,8,10a-pentamethyl-4,4a,5,6,7,8a,9,10-octahydro-1h-phenanthren-1-yl]methyl]-4-hydroxybenzoic acid
InChIKey VIOMEESUKISOEL-XDEZJFBHSA-N
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