Smp 78 Acid S

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Properties Simple | Detailed

Formula C27H18O6
IUPAC Name carbon dioxide; 2-[2-[3-[[(4z)-4-(5,6-dimethylenepyran-2-ylidene)-2-methylene-cyclopentylidene]methylene]-2-methyl-cyclopropen-1-yl]ethynyl]-5-methylene-4-(oxomethylene)tetrahydrofuran-3-one
Molecular Mass 438.428 g·mol−1
Heat of Formation -1051.4 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 620.28 Å 3
Surface Area 539.17 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 3.84 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2s,4s,5r,6s)-6-[(e)-2-[(1s,2s,3r)-2-[(1e,3r,4e)-5-[(2r,6r)-6-ethyl-5-methyl-3,6-dihydro-2h-pyran-2-yl]-3-methyl-hexa-1,4-dienyl]-3-methyl-cyclopropyl]ethenyl]-4,5-dihydroxy-oxan-2-yl]ethanoic acid
  • 2-[(2s,4s,5r,6s)-6-[(e)-2-[(1s,2s,3r)-2-[(1e,3r,4e)-5-[(2r,6r)-6-ethyl-5-methyl-3,6-dihydro-2h-pyran-2-yl]-3-methyl-hexa-1,4-dienyl]-3-methyl-cyclopropyl]vinyl]-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid
  • 2-[(2s,4s,5r,6s)-6-[(e)-2-[(1s,2s,3r)-2-[(1e,3r,4e)-5-[(2r,6r)-6-ethyl-5-methyl-3,6-dihydro-2h-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid
  • 2-[(2s,4s,5r,6s)-6-[(e)-2-[(1s,2s,3r)-2-[(1e,3r,4e)-5-[(2r,6r)-6-ethyl-5-methyl-3,6-dihydro-2h-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]vinyl]-4,5-dihydroxy-2-tetrahydropyranyl]acetic acid
  • ambruticin (usan)
  • ambruticin s
  • d02883
  • w-7783
InChIKey TYIXBSJXUFTELJ-LQJOTGEPSA-N
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