Olean-12-En-28-Oic Acid, 22-β-Hydroxy-3-Oxo-, 3-Methylcrotonate

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Formula C35H52O5
IUPAC Name (4r,4as,6ar,6as,6br,8ar,9s,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylate
Molecular Mass 552.784 g·mol−1
Heat of Formation -1197.4 ± 16.7 kJ·mol−1
Dipole Moment 4.37 ± 1.08 D
Volume 698.77 Å 3
Surface Area 507.02 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methyl-1-oxobut-2-enoxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4r,4as,6ar,6as,6br,8ar,12ar,14bs)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
InChIKey VYPAPFHUHDWCBI-QQAPFUPGSA-N
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