(1R,2S,3R,4S)-1,2,3,4,5-Pentahydroxy-7-Methoxy-2-Methyl-1,2,3,4-Tetrahydro-9,10-Anthracenedione

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16O8
IUPAC Name (1s,2r,3s,4r)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
Molecular Mass 336.293 g·mol−1
Heat of Formation -1259.0 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 356.11 Å 3
Surface Area 306.07 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.98 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4r)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
  • (1s,2r,3s,4r)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-quinone
  • 9,10-anthracenedione, 1,2,3,4-tetrahydro-1,2,3,4,5-pentahydroxy-7-methoxy-2-methyl-, (1r-(1alpha,2beta,3beta,4alpha))-
  • altersolanol a
  • as-a 2
CAS Number(s)
  • 31179-82-5
  • 22268-16-2
  • 55809-88-6
InChIKey VSMBLBOUQJNJIL-JJXSEGSLSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O