S-{[(4As,8Ar,9Ar)-9A-Hydroxy-4,4-Dimethyl-2-Oxo-2,4,4A,5,6,8A,9,9A-Octahydronaphtho[2,3-B]Furan-7-Yl]Methyl} Ethanethioate

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Properties Simple | Detailed

Formula C17H22O4S
IUPAC Name s-[[(4as,8ar,9ar)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4ah-benzo[f]benzofuran-7-yl]methyl] ethanethioate
Molecular Mass 322.419 g·mol−1
Heat of Formation -695.6 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 383.64 Å 3
Surface Area 323.5 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 15-acetylthioxyfurodysinin lactone
  • ethanethioic acid s-[[(4as,8ar,9ar)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4ah-benzo[f]benzofuran-7-yl]methyl] ester
  • s-[[(4as,8ar,9ar)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4ah-benzo[f][1]benzoxol-7-yl]methyl] ethanethioate
  • s-[[(4as,8ar,9ar)-9a-hydroxy-4,4-dimethyl-2-oxo-5,6,8a,9-tetrahydro-4ah-benzo[f]benzofuran-7-yl]methyl] ethanethioate
  • sk&f 105900
  • sk&f-105900
  • skf 105900
CAS Number(s)
  • 122771-73-7
InChIKey AAHLYKZXCCLERI-GDZNZVCISA-N
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