Methyl (1S,4Ar,7S,7Ar)-1-(β-D-Glucopyranosyloxy)-4A,7-Dihydroxy-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylate

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Properties Simple | Detailed

Formula C17H26O11
IUPAC Name methyl (1s,4ar,7s,7ar)-4a,7-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 406.382 g·mol−1
Heat of Formation -2040.2 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 448.1 Å 3
Surface Area 370.22 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,7s,7ar)-4a,7-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1s,4ar,7s,7ar)-4a,7-dihydroxy-7-methyl-1-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-1,5,6,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • ipolamiide
  • methyl (1s,4ar,7s,7ar)-4a,7-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
  • methyl (1s,4ar,7s,7ar)-4a,7-dihydroxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[d]pyran-4-carboxylate
CAS Number(s)
  • 27934-98-1
InChIKey RWMXKBUPLSNIJL-BHBNKKJBSA-N
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