(1'R,2S,3'S,4'S,5R,7'R,10'R)-3'-Hydroxy-10'-(Hydroxymethyl)-4,4,5,11'-Tetramethyl-3,9',12'-Trioxodihydro-3H-Spiro[Furan-2,5'-[13]Thia[8,11]Diazatetracyclo[8.2.1.0~1,8~.0~3,7~]Tridecan]-4'-Yl Acetate

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Formula C20H26N2O8S
IUPAC Name (1'r,2s,3's,4's,5r,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,11'-tetramethyl-3,9',12'-trioxodihydro-3h-spiro[furan-2,5'-[13]thia[8,11]diazatetracyclo[8.2.1.0 1,8 .0 3,7 ]tridecan]-4'-yl acetate
Molecular Mass 454.494 g·mol−1
Heat of Formation -1349.0 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 504.56 Å 3
Surface Area 387.66 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
Synonyms
  • sirodesmin h
CAS Number(s)
  • 64542-78-5
InChIKey ITMLCHOGYDYPNT-OQIMMBKLSA-N
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