(5S,5'S,6R,6'R,7S,7'S,8R,8'R)-4,4',5,5',6,6',7,7',8,8'-Decahydroxy-2,2'-Dimethoxy-7,7'-Dimethyl-5,5',6,6',7,7',8,8'-Octahydro-1,1'-Bianthracene-9,9',10,10'-Tetrone

Molecule SVG Image

Properties Simple | Detailed

Formula C21H10O16
IUPAC Name (6s)-3-hydroperoxyspiro[2,7a-dihydroindene-6,2'-oxirane]-1,4,5,7-tetrone; (3s)-6-hydroperoxyspiro[naphthalene-3,2'-oxirane]-1,2,4,5,7,8-hexone
Molecular Mass 518.294 g·mol−1
Heat of Formation -2577.8 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 691.24 Å 3
Surface Area 538.57 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4r)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-5-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-2-methoxy-7-methyl-9,10-dioxo-6,8-dihydro-5h-anthracen-1-yl]-2,4-dihydro-1h-anthracene-9,10-dione
  • (1s,2r,3s,4r)-1,2,3,4,8-pentahydroxy-6-methoxy-3-methyl-5-[(5s,6r,7s,8r)-4,5,6,7,8-pentahydroxy-9,10-diketo-2-methoxy-7-methyl-6,8-dihydro-5h-anthracen-1-yl]-2,4-dihydro-1h-anthracene-9,10-quinone
  • alterporriol d
  • alterporriol e
CAS Number(s)
  • 119644-07-4
  • 119718-06-8
InChIKey IXBPWSPJMNOFJJ-KNEUHGCLSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O