(4S)-4-[(1R,4Z,8Z,10S,13R,15R)-15-Hydroxy-5,10-Dimethyl-3-Oxo-2,14-Dioxabicyclo[11.3.1]Heptadeca-4,8-Dien-15-Yl]-1,3-Thiazolidin-2-One

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Properties Simple | Detailed

Formula C20H29NO5S
IUPAC Name (4s)-4-[(1r,4s,5z,9z,13r,15r)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]thiazolidin-2-one
Molecular Mass 395.513 g·mol−1
Heat of Formation -978.6 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 478.6 Å 3
Surface Area 368.57 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-[(1r,4s,5z,9z,13r,15r)-15-hydroxy-11-keto-4,9-dimethyl-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]thiazolidin-2-one
  • (4s)-4-[(1r,4s,5z,9z,13r,15r)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]-1,3-thiazolidin-2-one
  • (4s)-4-[(1r,4s,5z,9z,13r,15r)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]-2-thiazolidinone
  • (4s)-4-[(1r,4s,5z,9z,13r,15r)-15-hydroxy-4,9-dimethyl-11-oxo-12,16-dioxabicyclo[11.3.1]heptadeca-5,9-dien-15-yl]thiazolidin-2-one
InChIKey NSHPHXHGRHSMIK-WAXGXQFOSA-N
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