Cypellocarpin C

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Properties Simple | Detailed

Formula C26H33O11+
IUPAC Name [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl (4r)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylate
Molecular Mass 521.534 g·mol−1
Heat of Formation -1945.0 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 597.32 Å 3
Surface Area 443.58 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-4-keto-2-methyl-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl ester
  • (4r)-4-(1-hydroxy-1-methylethyl)-1-cyclohexenecarboxylic acid [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-hydroxy-2-methyl-4-oxo-7-chromenyl)oxy]-2-tetrahydropyranyl]methyl ester
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxo-chromen-7-yl)oxy-oxan-2-yl]methyl (4r)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxo-chromen-7-yl)oxy-tetrahydropyran-2-yl]methyl (4r)-4-(1-hydroxy-1-methyl-ethyl)cyclohexene-1-carboxylate
  • [(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-2-methyl-4-oxochromen-7-yl)oxyoxan-2-yl]methyl (4r)-4-(2-hydroxypropan-2-yl)cyclohexene-1-carboxylate
InChIKey OUBDJJFZUQGQLU-ZHFYLPRNSA-N
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