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

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Properties Simple | Detailed

Formula C21H32O6
IUPAC Name (3r,5r,7z,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Molecular Mass 380.475 g·mol−1
Heat of Formation -1103.0 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 487.24 Å 3
Surface Area 358.66 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5r,7z,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
  • (3r,5r,7z,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-7-methoxy-3,9,13-trimethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
  • (3r,5r,7z,9s,12e,14s)-14-ethyl-5-hydroxy-7-methoxy-3,9,13-trimethyl-11-methylene-5-methylol-1-oxacyclotetradeca-7,12-diene-2,4-quinone
InChIKey WOFFENQLRMDHKE-VHWRYTFUSA-N
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