3-Acetyl Aleuritolic Acid

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Properties Simple | Detailed

Formula C32H50O4
IUPAC Name (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 498.737 g·mol−1
Heat of Formation -1050.7 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 642.6 Å 3
Surface Area 465.76 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetoxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydropicene-4a-carboxylic acid
  • acetylaleuritolic acid
  • aleuritolic acid, acetyl-
  • d-friedoolean-14-en-28-oic acid, 3-(acetyloxy)-, (3beta)-
  • hexadecanoic acid, (acetyloxy)dihydroxy-, (r*,s*)-(+-)-
InChIKey UROPGAQBZGIPQC-VUHMTIHWSA-N
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