(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-14-Ethyl-4,6,7,12-Tetrahydroxy-3,5,7,9,11,13-Hexamethyloxacyclotetradecane-2,10-Dione

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Properties Simple | Detailed

Formula C21H38O7
IUPAC Name (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular Mass 402.522 g·mol−1
Heat of Formation -1632.1 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 500.54 Å 3
Surface Area 365.0 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • (3r,4s,5s,6r,7r,9r,11r,12s,13r,14r)-14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-quinone
  • 14-ethyl-4,6,7,12-tetrahydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
  • eritronolide b
  • erythronolide b
InChIKey ZFBRGCCVTUPRFQ-HWRKYNCUSA-N
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