Lamalbid

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Properties Simple | Detailed

Formula C17H26O12
IUPAC Name methyl (1s,4as,5s,6s,7r,7as)-5,6,7-trihydroxy-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 422.381 g·mol−1
Heat of Formation -2204.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 459.35 Å 3
Surface Area 372.38 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4as,5s,6s,7r,7as)-5,6,7-trihydroxy-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,5s,6s,7r,7as)-5,6,7-trihydroxy-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,5s,6s,7r,7as)-5,6,7-trihydroxy-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,5s,6s,7r,7as)-5,6,7-trihydroxy-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
InChIKey HHDWDLBSGSYIQQ-GNDDPXJISA-N
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