(3β,18Alpha)-3-Hydroxyoleana-9(11),12-Dien-28-Oic Acid

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Properties Simple | Detailed

Formula C30H42O3
IUPAC Name (4as,6ar,6bs,8ar,10s,12as,14br)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydropicene-4a-carboxylic acid
Molecular Mass 450.653 g·mol−1
Heat of Formation -809.3 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 583.77 Å 3
Surface Area 420.19 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 3.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3beta,5xi,18xi)-3-hydroxyoleana-9(11),12-dien-28-oic acid
  • 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-hexadecahydro-2h-picene-4a-carboxylic acid
  • 3beta-hydroxyolean-9(11),12-dien-28-oic acid
  • eucalyptanoic acid
  • oleana-9(11),12-dien-28-oic acid, 3-hydroxy-, (3beta,5xi,18xi)-
InChIKey KICUTMUDQMLBSF-CYDBUDFLSA-N
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