Methyl (1R,3R,4R,4As,8S,8Ar)-1-Hydroxy-3-Methoxy-8-Methyl-6-Oxohexahydro-1H,3H-Pyrano[3,4-C]Pyran-4-Carboxylate

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Properties Simple | Detailed

Formula C12H18O7
IUPAC Name methyl (1r,3r,4r,4as,8s,8ar)-1-hydroxy-3-methoxy-8-methyl-6-oxo-3,4,4a,5,8,8a-hexahydro-1h-pyrano[3,4-c]pyran-4-carboxylate
Molecular Mass 274.267 g·mol−1
Heat of Formation -1296.0 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 313.35 Å 3
Surface Area 274.14 Å 2
HOMO Energy -10.63 ± 0.55 eV
LUMO Energy 0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5r,6r,8r,8ar)-8-hydroxy-3-keto-6-methoxy-1-methyl-4,4a,5,6,8,8a-hexahydro-1h-pyrano[5,4-c]pyran-5-carboxylic acid methyl ester
  • (1s,4as,5r,6r,8r,8ar)-8-hydroxy-6-methoxy-1-methyl-3-oxo-4,4a,5,6,8,8a-hexahydro-1h-pyrano[5,4-c]pyran-5-carboxylic acid methyl ester
  • 1h,3h-pyrano(3,4-c)pyran-4-carboxylic acid, hexahydro-1-hydroxy-3-methoxy-8-methyl-6-oxo-, methyl ester, (1r-(1alpha,3beta,4alpha,4aalpha,8alpha,8aalpha))-
  • methyl (1s,4as,5r,6r,8r,8ar)-8-hydroxy-6-methoxy-1-methyl-3-oxo-4,4a,5,6,8,8a-hexahydro-1h-pyrano[5,4-c]pyran-5-carboxylate
InChIKey IYOMTPNHJRSLSB-XAPYOQSDSA-N
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