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

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Properties Simple | Detailed

Formula C20H26O6
IUPAC Name [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2r,3r)-2,3-dimethyloxirane-2-carboxylate
Molecular Mass 362.417 g·mol−1
Heat of Formation -897.7 ± 16.7 kJ·mol−1
Dipole Moment 2.26 ± 1.08 D
Volume 444.65 Å 3
Surface Area 355.19 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2,3-dimethyl-2-oxiranecarboxylic acid [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
  • (2r,3r)-2,3-dimethyloxirane-2-carboxylic acid [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-2-keto-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-4-yl] ester
  • [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2r,3r)-2,3-dimethyloxirane-2-carboxylate
  • [(3ar,4r,6z,8s,10z,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2r,3r)-2,3-dimethyloxirane-2-carboxylate
  • millisorin b
  • oxiranecarboxylic acid, 2,3-dimethyl-, 2,3,3a,4,5,8,9,11a-octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca(b)furan-4-yl ester, (3ar-(3ar*,4r*(2r*,3r*),6e,8s*,10e,11ar*))-
CAS Number(s)
  • 72229-34-6
InChIKey KCUQHLKAVMLGGV-LZYLOZORSA-N
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