(4S,5S,6R,9S,10R)-4,9,10-Trihydroxy-6-Methyl-3-Methylene-2-Oxaspiro[4.5]Dec-7-En-1-One

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Properties Simple | Detailed

Formula C11H14O5
IUPAC Name (4s,5s,6r,7s,10r)-4,6,7-trihydroxy-10-methyl-3-methylene-2-oxaspiro[4.5]dec-8-en-1-one
Molecular Mass 226.226 g·mol−1
Heat of Formation -769.4 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 255.7 Å 3
Surface Area 223.21 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5s,6r,9s,10r)-1,9,10-trihydroxy-6-methyl-2-methylene-3-oxaspiro[4.5]dec-7-en-4-one
  • (1s,5s,6r,9s,10r)-1,9,10-trihydroxy-6-methyl-2-methylidene-3-oxaspiro[4.5]dec-7-en-4-one
  • 2-oxaspiro[4.5]dec-7-en-1-one, 4,9,10-trihydroxy-6-methyl-3-methylene-, (5s,6r,9s,10r)-
  • 4,9,10-trihydroxy-6-methyl-3-methylene-2-oxa-spiro[4.5]dec-7-en-1-one
  • massarigenin a
  • rel-(4r,5r,6s,9r,10s)-4,9,10-trihydroxy-6-methyl-3-methylene-2-oxaspiro[4.5]dec-7-en-1-one
InChIKey VYTPSQHQAWGKGW-SAFKVGCYSA-N
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