(3S,4R)-4,8-Dihydroxy-3-Methyl-3,4-Dihydro-1,7,12(2H)-Tetraphenetrione

Molecule SVG Image

Properties Simple | Detailed

Formula C19H14O5
IUPAC Name (3s,4r)-4,8-dihydroxy-3-methyl-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
Molecular Mass 322.311 g·mol−1
Heat of Formation -607.0 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 353.48 Å 3
Surface Area 302.46 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r)-4,8-dihydroxy-3-methyl-3,4-dihydro-2h-benzo[a]anthracene-1,7,12-trione
  • benz(a)anthracene-1,7,12(2h)-trione, 3,4-dihydro-4,8-dihydroxy-3-methyl-, trans-(+)-
  • fujianmycin a
CAS Number(s)
  • 96695-57-7
InChIKey WWVNIBVFNYKUQY-WNWIJWBNSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O