(3β)-3,23-Dihydroxy-30-Methoxy-30-Oxoolean-12-En-28-Oic Acid

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Properties Simple | Detailed

Formula C31H48O6
IUPAC Name (2s,4ar,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-10-hydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Mass 516.709 g·mol−1
Heat of Formation -1363.4 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 638.75 Å 3
Surface Area 462.92 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4ar,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-2-carbomethoxy-10-hydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKey YAGYBNOEVSEGSL-HGDAMUQJSA-N
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