(3R,5R,7E,9S,12E,14S)-14-Ethyl-5-Hydroxy-5-(Hydroxymethyl)-3,7,9,13-Tetramethyl-11-Methyleneoxacyclotetradeca-7,12-Diene-2,4-Dione

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Properties Simple | Detailed

Formula C21H32O5
IUPAC Name (3r,5r,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Molecular Mass 364.476 g·mol−1
Heat of Formation -940.6 ± 16.7 kJ·mol−1
Dipole Moment 2.07 ± 1.08 D
Volume 475.9 Å 3
Surface Area 353.22 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,7e,9s,12e,14s)-14-ethyl-5-hydroxy-3,7,9,13-tetramethyl-11-methylene-5-methylol-1-oxacyclotetradeca-7,12-diene-2,4-quinone
  • (3r,5r,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
  • (3r,5r,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
InChIKey MRDSIEAKMVLPRW-DIUXPWNFSA-N
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