6H-Benzo(D)Naphtho(1,2-B)Pyran-6-One, 4-(6-Deoxy-3-C-Methyl-β-Gulopyranosyl)-8-Ethenyl-1-Hydroxy-10,12-Dimethoxy-

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Properties Simple | Detailed

Formula C28H28O9
IUPAC Name (4e)-3-methylene-10-[(3s)-5-methylene-4,8-dioxo-1,6-dioxaspiro[2.5]octan-7-yl]-4-(oxiran-2-ylidene)-6a,10-dihydrobenzo[h]chromene-2,6,7-trione
Molecular Mass 508.517 g·mol−1
Heat of Formation -1310.2 ± 16.7 kJ·mol−1
Dipole Moment 8.87 ± 1.08 D
Volume 565.42 Å 3
Surface Area 455.81 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 1-hydroxy-10,12-dimethoxy-4-[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-4,6-dimethyl-2-tetrahydropyranyl]-8-vinyl-6-naphtho[1,2-c]isochromenone
  • 1-hydroxy-10,12-dimethoxy-4-[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]-8-vinyl-naphtho[1,2-c]isochromen-6-one
  • 8-ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-4,6-dimethyl-oxan-2-yl]naphtho[1,2-c]isochromen-6-one
  • 8-ethenyl-1-hydroxy-10,12-dimethoxy-4-[(2s,3s,4r,5s,6r)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]naphtho[1,2-c]isochromen-6-one
  • chrysomycin a
CAS Number(s)
  • 82196-88-1
InChIKey OMDANBMKOUVKAG-WZNMFJNZSA-N
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