(3'S,3As,4'S,5S,6'S,11Bs)-3'-{[(2R,5S,6R)-5-(Dimethylamino)-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-7-Hydroxy-6'-Methyl-2,6,11-Trioxo-2,3,3',3A,4',5',6,6',11,11B-Decahydrospiro[Benzo[G]Furo[3,2-C]Isochromene-5,2'-Pyran]-4'-Yl Acetate

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Formula C20H31NO11
IUPAC Name (3's,3as,4's,5s,6's,7as)-6-acetyl-3'-[(2r,5s)-5-aminotetrahydropyran-2-yl]oxy-4'-hydroxy-6'-methyl-2-oxo-spiro[3a,7a-dihydro-3h-furo[3,2-b]pyran-5,2'-tetrahydropyran]-7-carbaldehyde dihydrate
Molecular Mass 461.460 g·mol−1
Heat of Formation -1821.3 ± 16.7 kJ·mol−1
Dipole Moment 1.22 ± 1.08 D
Volume 656.9 Å 3
Surface Area 466.76 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-alpha-d-forosaminyl-(+)-griseusin a
  • spiro(5h-furo(3.2-b)naphtho(2,3-d)pyran-5,2'-(2h)pyran-2,6,11(3h)-trione, 4'-(acetyloxy)-3'-((5-(dimethylamino)tetrahydro-6-methyl-2h-pyran-2-yl)oxy)-3',3a,4',5',6',11b-hexahydro-7-hydroxy-6'-methyl-, (2'r-(2'-alpha(3ar*,11br*),3'-alpha(2r*,5s*,6r*),4'-alpha,6'-beta))-
CAS Number(s)
  • 158268-23-6
InChIKey GBCIKOFDQWOMIP-YVYZCLHYSA-N
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