(3R)-3-{(1S)-2-[(1R,3S,4As,7S,8As)-7-Chloro-3-Hydroxy-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]-1-Hydroxyethyl}-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C20H30ClNO4
IUPAC Name (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
Molecular Mass 383.910 g·mol−1
Heat of Formation -930.0 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 460.12 Å 3
Surface Area 356.16 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-decalinyl]-1-hydroxyethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-quinone
  • (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4as,7s,8as)-7-chloro-3-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]-1-hydroxyethyl]pyrrolidine-2,5-dione
  • 2,5-pyrrolidinedione, 3-(2-(7-chlorodecahydro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-1-hydroxyethyl)-
  • 3-(2-(7-chlorodecahydro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-1-hydroxyethyl)-2,5-pyrrolidinedione
  • chlorolissoclimide
CAS Number(s)
  • 148717-91-3
InChIKey LCBZIVZSFYGPBC-LWHFJPTFSA-N
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