9-Methyl-3-Oxours-12-En-28-Oic Acid

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Formula C31H48O3
IUPAC Name (1s,2r,4as,6ar,6ar,6br,8ar,12as,14bs)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 468.711 g·mol−1
Heat of Formation -805.7 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 592.19 Å 3
Surface Area 420.61 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy 1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,4as,6ar,6ar,6br,8ar,12as,14bs)-1,2,6a,6a,6b,9,9,12a-octamethyl-10-oxo-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (1s,2r,4as,6ar,6ar,6br,8ar,12as,14bs)-10-keto-1,2,6a,6a,6b,9,9,12a-octamethyl-2,3,4,5,6,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • 3-oxo-12-ursen-28-oic acid
InChIKey CWOTYIYSILMQNU-YGASABAZSA-N
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