Galbonolide B

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Properties Simple | Detailed

Formula C21H32O5
IUPAC Name (3r,5s,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
Molecular Mass 364.476 g·mol−1
Heat of Formation -960.4 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 474.91 Å 3
Surface Area 353.55 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,5s,7e,9s,12e,14s)-14-ethyl-5-hydroxy-3,7,9,13-tetramethyl-11-methylene-5-methylol-1-oxacyclotetradeca-7,12-diene-2,4-quinone
  • (3r,5s,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
  • (3r,5s,7e,9s,12e,14s)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
  • erythronolide a, 6,7,10,11,12,20-hexadehydro-9-deoxo-3,5,6,11,12-pentadeoxy-4,17-dihydroxy-3-oxo-
InChIKey MRDSIEAKMVLPRW-PWIIXOMXSA-N
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