Methyl (1R,4As,7As)-1-Hydroxy-7-(Hydroxymethyl)-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate

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Formula C11H14O5
IUPAC Name methyl (1r,4as,7as)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Molecular Mass 226.226 g·mol−1
Heat of Formation -807.8 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 259.85 Å 3
Surface Area 235.92 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4as,7as)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • (1r,4as,7as)-1-hydroxy-7-methylol-1,4a,5,7a-tetrahydrocyclopenta[d]pyran-4-carboxylic acid methyl ester
  • genipin
CAS Number(s)
  • 6902-77-8
InChIKey AZKVWQKMDGGDSV-BCMRRPTOSA-N
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