(5S,6S,7S,9R,13Z,15R,16R)-16-Ethyl-6-Hydroxy-15-(Hydroxymethyl)-5,7,9-Trimethyloxacyclohexadeca-3,11,13-Triene-2,10-Dione

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Properties Simple | Detailed

Formula C21H32O5
IUPAC Name (3z,5s,6s,7s,9r,11z,13z,15r,16r)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
Molecular Mass 364.476 g·mol−1
Heat of Formation -942.3 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 468.43 Å 3
Surface Area 358.56 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,5s,6s,7s,9r,11z,13z,15r,16r)-16-ethyl-6-hydroxy-15-(hydroxymethyl)-5,7,9-trimethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione
  • (3z,5s,6s,7s,9r,11z,13z,15r,16r)-16-ethyl-6-hydroxy-5,7,9-trimethyl-15-methylol-1-oxacyclohexadeca-3,11,13-triene-2,10-quinone
  • mycinamicin iv aglycone
  • mycinolide i, 12,13-deepoxy-12,13-didehydro-
  • mycinolide iv
CAS Number(s)
  • 77704-61-1
InChIKey HUAKBQRUWMYNSD-NMQQROTKSA-N
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