(1R,1'S,5S,6'S,8'S)-8'-Chloro-5-Hydroxy-2',3',4-Trimethoxy-10'-Azaspiro[Cyclopentane-1,7'-Tricyclo[4.3.3.0~1,6~]Dodecane]-2',3-Diene-2,4'-Dione

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Properties Simple | Detailed

Formula C18H22ClNO6
IUPAC Name (1r,1's,5s,6's,8's)-8'-chloro-5-hydroxy-2',3',4-trimethoxy-10'-azaspiro[cyclopentane-1,7'-tricyclo[4.3.3.0 1,6 ]dodecane]-2',3-diene-2,4'-dione
Molecular Mass 383.823 g·mol−1
Heat of Formation -871.0 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 417.57 Å 3
Surface Area 328.85 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • acutumidine
CAS Number(s)
  • 18145-26-1
InChIKey SBALNGLYQFMKPR-NQTWQHAWSA-N
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Elements H C N O Cl