(3Ar,4S,6Z,10E,11Ar)-10-(Hydroxymethyl)-6-Methyl-3-Methylene-2-Oxo-2,3,3A,4,5,8,9,11A-Octahydrocyclodeca[B]Furan-4-Yl (3R)-3,4-Dihydroxy-2-Methylenebutanoate

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Properties Simple | Detailed

Formula C20H26O7
IUPAC Name [(3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3r)-3,4-dihydroxy-2-methylene-butanoate
Molecular Mass 378.416 g·mol−1
Heat of Formation -1099.6 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 451.42 Å 3
Surface Area 362.59 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3,4-dihydroxy-2-methylenebutanoic acid [(3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl 3,4-dihydroxy-2-methylenebutyrate
  • 2-[(1r)-1,2-dihydroxyethyl]acrylic acid [(3ar,4s,6z,10e,11ar)-2-keto-6-methyl-3-methylene-10-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3r)-3,4-dihydroxy-2-methylene-butanoate
  • [(3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3r)-3,4-dihydroxy-2-methylidene-butanoate
  • [(3ar,4s,6z,10e,11ar)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3r)-3,4-dihydroxy-2-methylidenebutanoate
  • butanoic acid, 3,4-dihydroxy-2-methylene-, 2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4s*(r*),6e,10z,11ar*))-
  • cnicine
  • germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha,8-alpha,15-trihydroxy-, 12,6-lactone, 8-(3,4-dihydroxy-2-methylenebutyrate)
InChIKey ZTDFZLVUIVPZDU-CRDVENINSA-N
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