(3β)-3-Hydroxy-1-Oxooleana-11,13(18)-Dien-28-Oic Acid

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Formula C30H44O4
IUPAC Name (4as,6as,6as,6br,8as,10s,12as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11-decahydro-1h-picene-4a-carboxylic acid
Molecular Mass 468.668 g·mol−1
Heat of Formation -939.2 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 589.33 Å 3
Surface Area 422.55 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6as,6as,6br,8as,10s,12as)-10-hydroxy-12-keto-2,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11-decahydro-1h-picene-4a-carboxylic acid
  • (4as,6as,6as,6br,8as,10s,12as)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-3,4,5,6,6a,7,8,8a,10,11-decahydro-1h-picene-4a-carboxylic acid
InChIKey MRZDEOWEUAMNTO-ZKORMJMLSA-N
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