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

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
Molecular Mass 362.417 g·mol−1
Heat of Formation -949.1 ± 16.7 kJ·mol−1
Dipole Moment 4.60 ± 1.08 D
Volume 436.24 Å 3
Surface Area 335.86 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-2-keto-10-methyl-3-methylene-6-methylol-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • (z)-2-methylbut-2-enoic acid [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
  • [(3ar,4r,6z,8s,10e,11ar)-8-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate
InChIKey LMMIAIJOVZTZBV-LMOXMIRRSA-N
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