(3β)-3-Hydroxy-2-Oxoolean-12-En-30-Oic Acid

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Properties Simple | Detailed

Formula C30H42O4
IUPAC Name 3-[(1s,2s,4ar,4bs,6ar,10ar,12ar)-1,4a,4b,6a-tetramethyl-9-methylene-2-(1-methylvinyl)-3,4,5,6,7,8,10,10a,12,12a-decahydro-2h-chrysen-1-yl]-2-oxo-propanal; carbon dioxide
Molecular Mass 466.652 g·mol−1
Heat of Formation -1016.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 594.52 Å 3
Surface Area 426.94 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4as,6ar,6as,6br,8ar,10r,12ar,14br)-10-hydroxy-11-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-1h-picene-2-carboxylic acid
  • (2s,4as,6ar,6as,6br,8ar,10r,12ar,14br)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-11-oxo-3,4,5,6,6a,7,8,8a,10,12,13,14b-dodecahydro-1h-picene-2-carboxylic acid
InChIKey WOKFCRPNGIVPEZ-FVYGZGRVSA-N
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