Maprounic Acid

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Formula C30H48O3
IUPAC Name (4as,6ar,6br,8ar,10s,12ar,14as,14bs)-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 -856.8 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 588.6 Å 3
Surface Area 419.22 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 4.20 ± 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,14bs)-
  • urs-12-en-29-oic acid, 3-hydroxy-, (3beta)-
InChIKey BHHPRAFMEFGOLZ-QVUWEPBXSA-N
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