(3R)-3-{(1S)-2-[(1R,3S,4Ar,6R,7R,8As)-7-Chloro-3,6-Dihydroxy-5,5,8A-Trimethyl-2-Methylenedecahydro-1-Naphthalenyl]-1-Hydroxyethyl}-2,5-Pyrrolidinedione

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Properties Simple | Detailed

Formula C20H30ClNO5
IUPAC Name (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8as)-7-chloro-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
Molecular Mass 399.909 g·mol−1
Heat of Formation -1110.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 475.56 Å 3
Surface Area 370.07 Å 2
HOMO Energy -10.27 ± 0.55 eV
LUMO Energy 3.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8as)-7-chloro-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-1-decalinyl]-1-hydroxyethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8as)-7-chloro-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8as)-7-chloro-3,6-dihydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-quinone
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8as)-7-chloro-3,6-dihydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1h-naphthalen-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
InChIKey UACZEBODXTXUMI-VVHTYQJQSA-N
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