(3As,4S,6R,10S,11Ar)-6-Acetoxy-6,10-Dimethyl-3-Methylene-2,7-Dioxododecahydrocyclodeca[B]Furan-4-Yl Methacrylate

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Properties Simple | Detailed

Formula C21H28O7
IUPAC Name [(3as,4s,6r,10s,11ar)-6-acetoxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Molecular Mass 392.443 g·mol−1
Heat of Formation -1248.1 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 471.74 Å 3
Surface Area 353.65 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methylacrylic acid [(3as,4s,6r,10s,11ar)-6-acetoxy-2,7-diketo-6,10-dimethyl-3-methylene-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[d]furan-4-yl] ester
  • 2-methylprop-2-enoic acid [(3as,4s,6r,10s,11ar)-6-acetoxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] ester
  • 2-propenoic acid, 2-methyl-, 6-(acetyloxy)dodecahydro-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca(b)furan-4-yl ester, (3as-(3ar*,4r*,6s*,10r*,11as*))-
  • [(3as,4s,6r,10s,11ar)-6-acetoxy-6,10-dimethyl-3-methylene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
  • [(3as,4s,6r,10s,11ar)-6-acetyloxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,10,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
  • lychnostatin 2
CAS Number(s)
  • 128700-84-5
InChIKey HBRKQMNFEIZZOU-AGKHZPTMSA-N
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