(+)-Murolic Acid

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Properties Simple | Detailed

Formula C21H36O5
IUPAC Name (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylene-5-oxo-tetrahydrofuran-3-carboxylic acid
Molecular Mass 368.508 g·mol−1
Heat of Formation -1136.1 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 500.93 Å 3
Surface Area 465.66 Å 2
HOMO Energy -10.52 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylene-5-oxo-3-tetrahydrofurancarboxylic acid
  • (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylene-5-oxo-tetrahydrofuran-3-carboxylic acid
  • (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylidene-5-oxo-oxolane-3-carboxylic acid
  • (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-4-methylidene-5-oxooxolane-3-carboxylic acid
  • (2r,3s)-2-[(14r)-14-hydroxypentadecyl]-5-keto-4-methylene-tetrahydrofuran-3-carboxylic acid
  • murolic acid
CAS Number(s)
  • 70579-58-7
InChIKey UYUDMGMNHAKPEV-QRQLOZEOSA-N
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