(3Z,5E,7R,8S,10S,11Z,13S,14R,15S,20R,21S,22S)-22-[(2S,3Z)-3,5-Hexadien-2-Yl]-8,10,14,20-Tetrahydroxy-7,13,15,21-Tetramethyloxacyclodocosa-3,5,11-Trien-2-One

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Properties Simple | Detailed

Formula C28H14O6
IUPAC Name (16e)-16-methyl-3,9,11-trimethylene-14,18-bis(oxomethylene)-2-penta-1,3-diynyl-1-oxacyclooctadec-16-en-5,7,12-triyne-4,10,15-trione
Molecular Mass 446.407 g·mol−1
Heat of Formation -1155.4 ± 16.7 kJ·mol−1
Dipole Moment 5.89 ± 1.08 D
Volume 694.32 Å 3
Surface Area 507.01 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5e,7r,8s,10s,11z,13s,14r,15s,20r,21s,22s)-22-[(2s,3z)-hexa-3,5-dien-2-yl]-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-1-oxacyclodocosa-3,5,11-trien-2-one
  • (3z,5e,7r,8s,10s,11z,13s,14r,15s,20r,21s,22s)-8,10,14,20-tetrahydroxy-7,13,15,21-tetramethyl-22-[(1s,2z)-1-methylpenta-2,4-dienyl]-1-oxacyclodocosa-3,5,11-trien-2-one
InChIKey CRWXTDHKQZZNHK-DIVQDLRVSA-N
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