Methyl (1S,4As,5S,6R,7S,7Ar)-1-(β-D-Gulopyranosyloxy)-6-Hydroxy-7-Methyl-5-{[(2E)-3-Phenyl-2-Propenoyl]Oxy}-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate

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Properties Simple | Detailed

Formula C26H32O12
IUPAC Name methyl (1s,4as,5s,6r,7s,7ar)-6-hydroxy-7-methyl-5-[(e)-3-phenylprop-2-enoyl]oxy-1-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 536.525 g·mol−1
Heat of Formation -1983.8 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 606.08 Å 3
Surface Area 500.73 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5s,6r,7s,7ar)-6-hydroxy-7-methyl-5-[(e)-1-oxo-3-phenylprop-2-enoxy]-1-[[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,5s,6r,7s,7ar)-6-hydroxy-7-methyl-5-[(e)-3-phenylacryloyl]oxy-1-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • 6-cinnamoyl-5-deoxypulchelloside i
  • 6-hydroxy-7-methyl-5-(3-phenyl-acryloyloxy)-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester
  • cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-5-[[(2e)-1-oxo-3-phenyl-2-propenyl]oxy]-, methyl ester, (1s,4as,5s,6r,7s,7ar)-
  • methyl (1s,4as,5s,6r,7s,7ar)-6-hydroxy-7-methyl-5-[(e)-3-phenylprop-2-enoyl]oxy-1-[(2s,3r,4r,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[d]pyran-4-carboxylate
InChIKey AWXRMPBTOKZHBB-SEILHWAQSA-N
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