Mussaenoside

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Properties Simple | Detailed

Formula C17H26O10
IUPAC Name methyl (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[c]pyran-4-carboxylate
Molecular Mass 390.382 g·mol−1
Heat of Formation -1831.3 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 446.31 Å 3
Surface Area 368.46 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylic acid methyl ester
  • methyl (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4as,7s,7as)-7-hydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4a,5,6,7a-tetrahydro-1h-cyclopenta[d]pyran-4-carboxylate
CAS Number(s)
  • 64421-27-8
InChIKey XBGJTRDIWPEIMG-DUMNYRKASA-N
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