(1S)-1-C-{(2R)-6-[(2R)-2-Butanyl]-5,10-Dihydroxy-4-Oxo-1,2,3,4-Tetrahydro-2-Anthracenyl}-5-Deoxy-1-O-Methyl-D-Xylulose

Molecule SVG Image

Properties Simple | Detailed

Formula C24H30O7
IUPAC Name (3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-[(1r)-1-methylpropyl]-3,4-dihydro-2h-anthracen-1-one
Molecular Mass 430.491 g·mol−1
Heat of Formation -1269.4 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 508.58 Å 3
Surface Area 430.58 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-7-sec-butyl-3,4-dihydro-2h-anthracen-1-one
  • (3r)-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-7-sec-butyl-3,4-dihydro-2h-anthracen-1-one
  • (3r)-3-[(1s,3s,4r)-3,4-dihydroxy-2-keto-1-methoxy-pentyl]-8,9-dihydroxy-7-sec-butyl-3,4-dihydro-2h-anthracen-1-one
  • (3r)-7-[(2r)-butan-2-yl]-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxo-pentyl]-8,9-dihydroxy-3,4-dihydro-2h-anthracen-1-one
  • (3r)-7-[(2r)-butan-2-yl]-3-[(1s,3s,4r)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-3,4-dihydro-2h-anthracen-1-one
  • 1,2-hydro-1-oxy-3,4-hydro-3-(1-methoxy-2-oxy-3,4-dihydroxypentyl)-8,9-dihydroxy-7-(sec-butyl)-anthracene
  • dxa
InChIKey XGORHSPGULYMCV-HHYQQTLHSA-N
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