(1R,2Z,6S,11As,13S,14Ar)-1-Hydroxy-6-Methyl-4-Oxo-1,6,7,8,9,11A,12,13,14,14A-Decahydro-4H-Cyclopenta[F]Oxacyclotridecin-13-Yl N,N-Dimethylglycinate

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Properties Simple | Detailed

Formula C20H31NO5
IUPAC Name [(1s,2z,7s,10z,12r,13r,15s)-12-hydroxy-7-methyl-9-oxo-8-oxabicyclo[11.3.0]hexadeca-2,10-dien-15-yl] 2-(dimethylamino)acetate
Molecular Mass 365.464 g·mol−1
Heat of Formation -925.7 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 458.24 Å 3
Surface Area 382.86 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 0.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-dimethylaminoacetic acid [(1r,2r,3z,7s,11z,13s,15s)-2-hydroxy-5-keto-7-methyl-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] ester
  • 2-dimethylaminoacetic acid [(1r,2r,3z,7s,11z,13s,15s)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] ester
  • [(1r,2r,3z,7s,11z,13s,15s)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] 2-dimethylaminoacetate
  • [(1r,2r,3z,7s,11z,13s,15s)-2-hydroxy-7-methyl-5-oxo-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-15-yl] 2-dimethylaminoethanoate
  • glycine, n,n-dimethyl-, (1r,2e,6s,10e,11as,13s,14ar)-4,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-4-oxo-1h-cyclopent(f)oxacyclotridecin-13-yl ester
  • glycine, n,n-dimethyl-, 1,6,7,8,9,11a,12,13,14,14a-decahydro-1-hydroxy-6-methyl-4-oxo-4h-cyclopent(f)oxacyclotridecin-13-yl ester, (1r-(1r*,2e,6s*,10e,11as*,13s*,14ar*))-
CAS Number(s)
  • 174305-65-8
InChIKey ZZWKZQDOSJAGGF-BVTJJHQYSA-N
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