(4As,6Br,8Ar,10S,12Ar,12Br,14As,14Br)-10-Hydroxy-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 C30H48O3
IUPAC Name (4as,6ar,6br,8ar,10s,12ar,14as,14br)-10-hydroxy-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 456.700 g·mol−1
Heat of Formation -868.2 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 590.14 Å 3
Surface Area 420.05 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 4.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4a(2h)-picenecarboxylic acid, 1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-, (4as,6br,10s,12ar,14as)-
  • rel-(4ar,6bs,10r,12as,14ar)-10-hydroxy-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)
InChIKey BHHPRAFMEFGOLZ-OTFXKZBSSA-N
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