2-[(6-Hydroxy-3,4-Dioxo-5-{[(1R,2R,4As,8As)-1,2,4A,5-Tetramethyl-1,2,3,4,4A,7,8,8A-Octahydro-2-Naphthalenyl]Methyl}-1,5-Cyclohexadien-1-Yl)Amino]Ethanesulfonic Acid

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Formula C23H33NO6S
IUPAC Name 2-[[5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-6-hydroxy-3,4-dioxo-cyclohexa-1,5-dien-1-yl]amino]ethanesulfonic acid
Molecular Mass 451.576 g·mol−1
Heat of Formation -1020.2 ± 16.7 kJ·mol−1
Dipole Moment 7.63 ± 1.08 D
Volume 529.41 Å 3
Surface Area 430.29 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-6-hydroxy-3,4-diketo-1-cyclohexa-1,5-dienyl]amino]ethanesulfonic acid
  • 2-[[5-[[(1r,2r,4as,8as)-1,2,4a,5-tetramethyl-1,3,4,7,8,8a-hexahydronaphthalen-2-yl]methyl]-6-hydroxy-3,4-dioxo-1-cyclohexa-1,5-dienyl]amino]ethanesulfonic acid
InChIKey JUZCKAMLAZUOHD-CIVZFWGOSA-N
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