Methyl 2.α.,3.Beta.-Dihydroxyolean-12-En-28-Oate

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Properties Simple | Detailed

Formula C31H50O4
IUPAC Name methyl (4as,6ar,6as,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Mass 486.726 g·mol−1
Heat of Formation -1046.3 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 622.01 Å 3
Surface Area 444.65 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6as,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid methyl ester
  • methyl (4as,6ar,6as,6br,8ar,10r,11r,12ar,14bs)-10,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
InChIKey OTDUGESKRJHFHR-SUXCAEKLSA-N
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