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

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Properties Simple | Detailed

Formula C20H29Cl2NO4
IUPAC Name (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8ar)-6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-decalin-1-yl]-1-hydroxy-ethyl]pyrrolidine-2,5-dione
Molecular Mass 418.355 g·mol−1
Heat of Formation -982.9 ± 16.7 kJ·mol−1
Dipole Moment 3.53 ± 1.08 D
Volume 483.19 Å 3
Surface Area 374.19 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8ar)-6,7-dichloro-3-hydroxy-5,5,8a-trimethyl-2-methylene-1-decalinyl]-1-hydroxyethyl]pyrrolidine-2,5-dione
  • (3r)-3-[(1s)-2-[(1r,3s,4ar,6r,7r,8ar)-6,7-dichloro-3-hydroxy-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,8ar)-6,7-dichloro-3-hydroxy-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,8ar)-6,7-dichloro-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,4ar,6r,7r,8ar)-6,7-dichloro-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
InChIKey RXKVVHDLUDIYSP-VVHTYQJQSA-N
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