Methyl (1S,5R)-1-Hydroxy-3-Methoxy-4-Oxo-5-{[(1R,2R,4As,8As)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-2-Naphthalenyl]Methyl}-2-Cyclopentene-1-Carboxylate

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Properties Simple | Detailed

Formula C23H34O5
IUPAC Name methyl (1s,5r)-5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-1-hydroxy-3-methoxy-4-oxo-cyclopent-2-ene-1-carboxylate
Molecular Mass 390.513 g·mol−1
Heat of Formation -904.3 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 489.39 Å 3
Surface Area 378.11 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-1-hydroxy-3-methoxy-4-oxo-1-cyclopent-2-enecarboxylic acid methyl ester
  • (1s,5r)-5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-1-hydroxy-4-keto-3-methoxy-cyclopent-2-ene-1-carboxylic acid methyl ester
  • methyl (1s,5r)-5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-1-hydroxy-3-methoxy-4-oxo-cyclopent-2-ene-1-carboxylate
  • methyl (1s,5r)-5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-1-hydroxy-3-methoxy-4-oxocyclopent-2-ene-1-carboxylate
InChIKey WUNVRPHYYMJCKE-XVNQQBLRSA-N
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