Dolabelide D

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Properties Simple | Detailed

Formula C39H68O11
IUPAC Name 11-(2-hydroxyethynyl)-3,5,17-trimethylene-18-(oxomethylene)-1-oxacyclooctadeca-6,9,12,15-tetrayne-2,4,8,14-tetrone; molecular oxygen
Molecular Mass 712.951 g·mol−1
Heat of Formation -2609.7 ± 16.7 kJ·mol−1
Dipole Moment 8.21 ± 1.08 D
Volume 936.72 Å 3
Surface Area 646.51 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy 3.46 ± eV
Point Group Symmetry C1
Synonyms
  • [(e,1r)-4-[(2r,3s,4s,6r,10e,14s,16r,18s,21r,22s,23s)-16-acetoxy-4,6,14,18,22-pentahydroxy-3,11,21,23-tetramethyl-24-oxo-1-oxacyclotetracos-10-en-2-yl]-3-methyl-1-propyl-but-3-enyl] acetate
  • [(e,4r)-1-[(2r,3s,4s,6r,10e,14s,16r,18s,21r,22s,23s)-16-acetyloxy-4,6,14,18,22-pentahydroxy-3,11,21,23-tetramethyl-24-oxo-1-oxacyclotetracos-10-en-2-yl]-2-methyl-hept-1-en-4-yl] ethanoate
  • [(e,4r)-1-[(2r,3s,4s,6r,10e,14s,16r,18s,21r,22s,23s)-16-acetyloxy-4,6,14,18,22-pentahydroxy-3,11,21,23-tetramethyl-24-oxo-1-oxacyclotetracos-10-en-2-yl]-2-methylhept-1-en-4-yl] acetate
  • acetic acid [(e,1r)-4-[(2r,3s,4s,6r,10e,14s,16r,18s,21r,22s,23s)-16-acetoxy-4,6,14,18,22-pentahydroxy-24-keto-3,11,21,23-tetramethyl-1-oxacyclotetracos-10-en-2-yl]-3-methyl-1-propyl-but-3-enyl] ester
  • acetic acid [(e,1r)-4-[(2r,3s,4s,6r,10e,14s,16r,18s,21r,22s,23s)-16-acetoxy-4,6,14,18,22-pentahydroxy-3,11,21,23-tetramethyl-24-oxo-1-oxacyclotetracos-10-en-2-yl]-3-methyl-1-propylbut-3-enyl] ester
InChIKey VJFQDPJVPBUKKD-QFWAPRMHSA-N
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