Cnidimoside A

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Properties Simple | Detailed

Formula C21H27O10+
IUPAC Name 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enyl]chromen-4-one
Molecular Mass 439.433 g·mol−1
Heat of Formation -1712.5 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 489.58 Å 3
Surface Area 392.41 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-but-2-enyl]chromen-4-one
  • 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-enyl]chromen-4-one
  • 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-but-2-enyl]chromen-4-one
  • 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-but-2-enyl]chromone
  • 5,7-dihydroxy-2-methyl-6-[(z)-3-methyl-4-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-2-enyl]-4-chromenone
InChIKey VZTJAPXJLBMTAU-XQGMFAHKSA-N
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