(3α)-3-Hydroxy-11-Oxours-12-En-24-Oic Acid

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Formula C30H46O4
IUPAC Name (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular Mass 470.684 g·mol−1
Heat of Formation -1027.7 ± 16.7 kJ·mol−1
Dipole Moment 6.54 ± 1.08 D
Volume 588.85 Å 3
Surface Area 420.56 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-hydroxy-14-keto-4,6a,6b,8a,11,12,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
  • (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
InChIKey YIMHGPSYDOGBPI-YZCVQEKWSA-N
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