27-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-Propenoyl]Oxy}-3-Oxoolean-12-En-28-Oic Acid

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Formula C39H52O7
IUPAC Name (4as,6ar,6ar,6br,8ar,12ar,14bs)-6a-[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
Molecular Mass 632.826 g·mol−1
Heat of Formation -1377.7 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 774.91 Å 3
Surface Area 543.01 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,6ar,6ar,6br,8ar,12ar,14bs)-6a-[[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]methyl]-2,2,6b,9,9,12a-hexamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • (4as,6ar,6ar,6br,8ar,12ar,14bs)-6a-[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxymethyl]-10-keto-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1h-picene-4a-carboxylic acid
  • 27((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxoolean-12-en-28-oic acid
  • myriceron caffeoyl ester
  • olean-12-en-28-oic acid, 27((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3-oxo-
CAS Number(s)
  • 142877-49-4
InChIKey RHAKBYCTYSBWIE-QWZNMBRFSA-N
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