Gardenoside

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Properties Simple | Detailed

Formula C17H24O11
IUPAC Name methyl (1s,4as,7s,7as)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 404.366 g·mol−1
Heat of Formation -1879.0 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 444.82 Å 3
Surface Area 372.27 Å 2
HOMO Energy -9.93 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,7s,7as)-7-hydroxy-7-(hydroxymethyl)-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,7s,7as)-7-hydroxy-7-methylol-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • methyl (1s,4as,7s,7as)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4as,7s,7as)-7-hydroxy-7-(hydroxymethyl)-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,7a-dihydro-1h-cyclopenta[d]pyran-4-carboxylate
CAS Number(s)
  • 24512-62-7
InChIKey XJMPAUZQVRGFRE-AYDWLWLASA-N
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