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

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Formula C29H44O4
IUPAC Name (4as,6ar,6as,6br,8ar,10s,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 456.657 g·mol−1
Heat of Formation -954.2 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 576.7 Å 3
Surface Area 419.07 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,6ar,6br,8ar,10s,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • (4as,6as,6ar,6br,8ar,10s,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
  • 10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2h-picene-4a-carboxylic acid
  • 2alpha,3alpha-dihydroxy-24-nor-4(23),12-oleanadien-28-oic acid
  • 4a(2h)-picenecarboxylic acid, 1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylene-, (4as,6as,6br,8ar,10s,11r,12ar,12br,14bs)-
  • rel-(4ar,6ar,6bs,8as,10r,11s,12as,12bs,14br)-10,11-dihydroxy-2,2,6a,6b,12a-pentamethyl-9-methylene-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2h)-carboxylic acid
InChIKey DJEZYUIBCFEXFX-BMTHBCBRSA-N
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