3,21-Dioxooleana-11,13(18)-Dien-28-Oic Acid

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Properties Simple | Detailed

Formula C30H42O4
IUPAC Name (4ar,6ar,6as,6br,8ar,12as)-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid
Molecular Mass 466.652 g·mol−1
Heat of Formation -881.2 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 586.18 Å 3
Surface Area 421.47 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,6ar,6as,6br,8ar,12as)-2,2,6a,6b,9,9,12a-heptamethyl-3,10-dioxo-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid
  • (4ar,6ar,6as,6br,8ar,12as)-3,10-diketo-2,2,6a,6b,9,9,12a-heptamethyl-1,4,5,6,6a,7,8,8a,11,12-decahydropicene-4a-carboxylic acid
  • oleana-11,13(18)-dien-18-oic acid, 3,21-dioxo
  • papyriogenin a
CAS Number(s)
  • 59076-79-8
InChIKey ZVVPEBOPTVRCNV-VNPBPMLNSA-N
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