.γ.-Rubromycin

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Properties Simple | Detailed

Formula C26H18O12
IUPAC Name methyl (2s)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylate
Molecular Mass 522.414 g·mol−1
Heat of Formation -1644.9 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 526.95 Å 3
Surface Area 461.44 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -2.13 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4',9',10-trihydroxy-5',8',9-triketo-7'-methoxy-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylic acid methyl ester
  • (2s)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-7-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]carboxylic acid methyl ester
  • gamma-rubromycin
  • methyl (2s)-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-spiro[3,4-dihydropyrano[5,6-g]isochromene-2,2'-3h-benzo[f]benzofuran]-7-carboxylate
  • spiro(benzo(1,2-b:5,4-c')dipyran-2(3h),2'(3'h)-naphtho(2,3-b)furan)-7-carboxylic acid, 4,5',8',9-tetrahydro-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester
  • spiro[benzol[1,2-b:5,4-c']dipyran-2(3h),2'(3'h)-naphthol[2,3-b]furan]-7-carboxylic acid, 4,5',8',0-tetrahydro-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester
CAS Number(s)
  • 27267-71-6
InChIKey CKLKRRFSZZUFKT-SANMLTNESA-N
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