6-Deoxyerythronolide B

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Properties Simple | Detailed

Formula C21H38O6
IUPAC Name (3r,4s,5r,6s,7s,9r,11r,12s,13r,14r)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Molecular Mass 386.523 g·mol−1
Heat of Formation -1418.1 ± 16.7 kJ·mol−1
Dipole Moment 2.02 ± 1.08 D
Volume 502.35 Å 3
Surface Area 369.7 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy 3.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4s,5r,6s,7s,9r,11r,12s,13r,14r)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione
  • (3r,4s,5r,6s,7s,9r,11r,12s,13r,14r)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-quinone
  • (3r,4s,5r,6s,7s,9r,11r,12s,13r,14r)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
  • 3,5,11-trihydroxyerythranolid-9-one
  • 6,12-dideoxy-erythronolide a
  • deb
  • erythronolide a, 6,12-dideoxy-
  • lmpk01000001
CAS Number(s)
  • 15797-36-1
InChIKey HQZOLNNEQAKEHT-IBBGRPSASA-N
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