(1S,3R,7S,8S,8Ar)-8-(2-{(4R,6R)-3-(4-Hydroxy-3-Methoxybenzyl)-4-[2-(Methylamino)-2-Oxoethyl]-2-Oxo-1,3-Oxazinan-6-Yl}Ethyl)-3,7-Dimethyl-1,2,3,7,8,8A-Hexahydro-1-Naphthalenyl (2S)-2-Methylbutanoate

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Properties Simple | Detailed

Formula C34H48N2O7
IUPAC Name [(1s,3r,7s,8s,8ar)-8-[2-[(4r,6r)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[2-(methylamino)-2-oxo-ethyl]-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
Molecular Mass 596.754 g·mol−1
Heat of Formation -1316.4 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 769.23 Å 3
Surface Area 524.16 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,8as)-8-(2-{(4s,6s)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2r)-2-methylbutanoate
  • (2s)-2-methylbutanoic acid [(1s,3r,7s,8s,8ar)-8-[2-[(4r,6r)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-methylamino-2-oxoethyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • (2s)-2-methylbutyric acid [(1s,3r,7s,8s,8ar)-8-[2-[(4r,6r)-3-(4-hydroxy-3-methoxy-benzyl)-2-keto-4-(2-keto-2-methylamino-ethyl)-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
  • (s)-2-methyl-butyric acid (1s,3r,7s,8s,8ar)-8-{2-[(4r,6r)-3-(4-hydroxy-3-methoxy-benzyl)-4-methylcarbamoylmethyl-2-oxo-[1,3]oxazinan-6-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester
  • [(1s,3r,7s,8s,8ar)-8-[2-[(4r,6r)-3-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-(2-methylamino-2-oxo-ethyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • [(1s,3r,7s,8s,8ar)-8-[2-[(4r,6r)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-methylamino-2-oxoethyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2s)-2-methylbutanoate
  • ab8
  • lfa878
InChIKey XGCZRGJUCNQVCO-XFAJEYMZSA-N
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