(4Ar,6Bs,8As,10S,12As,12Bs,14As,14Bs)-10-Acetoxy-2,2,6B,9,9,12A,14A-Heptamethyl-1,3,4,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-Octadecahydro-4A(2H)-Picenecarboxylic Acid

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Formula C32H50O4
IUPAC Name (4ar,6as,6bs,8as,10s,12as,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 -1074.8 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 640.44 Å 3
Surface Area 465.13 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,6as,6bs,8as,10s,12as,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
  • (4ar,6as,6bs,8as,10s,12as,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
  • 10-(acetyloxy)-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2h)-carboxylic acid (non-preferred name)
  • 3-o-acetyl-aleuritolic acid
  • 4a(2h)-picenecarboxylic acid, 10-(acetyloxy)-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-2,2,6b,9,9,12a,14a-heptamethyl-
InChIKey UROPGAQBZGIPQC-IOQLVHBJSA-N
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