(3β)-3-Hydroxyolean-12-En-28-Yl Acetate

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Properties Simple | Detailed

Formula C32H26O3
IUPAC Name formaldehyde; 4-[(3r)-7-[2-[6-(3-hydroxyprop-2-ynyl)-2-methyl-5-[(2-methylenecyclopropylidene)methylene]cyclohexa-1,3-dien-1-yl]ethynyl]-6-methyl-8-methylene-spiro[2.5]octa-4,6-dien-2-yl]buta-1,3-diyn-1-ol
Molecular Mass 458.547 g·mol−1
Heat of Formation 4580.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 537.06 Å 3
Surface Area 450.17 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -2.53 ± eV
Point Group Symmetry C1
Synonyms
  • [(4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl ethanoate
  • acetic acid [(4as,6ar,6as,6br,8ar,10s,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl ester
InChIKey MOMZFICIDJEWQF-NEIIXNPVSA-N
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