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

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(3ar,4r,6z,10z,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Molecular Mass 362.417 g·mol−1
Heat of Formation -962.1 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 444.53 Å 3
Surface Area 357.75 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoic acid [(3ar,4r,6z,10z,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • (e)-4-hydroxy-2-methylol-but-2-enoic acid [(3ar,4r,6z,10z,11ar)-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • 2-butaenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3ar,4r,6e,10e,11ar)-2,3,3a,4,5,8,9,11a-octahydro-8,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (2e)-
  • [(3ar,4r,6z,10z,11ar)-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
  • [(3ar,4r,6z,10z,11ar)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (e)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
  • germacra-1(10),4,11(13)-trien-12-oic acid, 6-beta,8-alpha-dihydroxy-, 12,6-lactone, 4-hydroxy-2-(hydroxymethyl)crotonate
InChIKey VWJYWGYJIDQUEG-UPCUBGMPSA-N
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