(1S,4Ar,11S,11As,12As)-3-Acetyl-1-(Dimethylamino)-4,4A,6,7,11-Pentahydroxy-11-Methyl-11,11A,12,12A-Tetrahydro-2,5(1H,4Ah)-Tetracenedione

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Properties Simple | Detailed

Formula C23H25NO8
IUPAC Name (4s,4as,5as,6s,12as)-4-(dimethylamino)-6,11,12,12a-tetrahydroxy-6-methyl-2-methylene-4,4a,5,5a-tetrahydrotetracene-1,3,10-trione; methanone
Molecular Mass 443.447 g·mol−1
Heat of Formation -1294.3 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 486.69 Å 3
Surface Area 389.36 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,4ar,11s,11as,12as)-1-dimethylamino-3-ethanoyl-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
  • (1s,4ar,11s,11as,12as)-3-acetyl-1-dimethylamino-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
  • (1s,4ar,11s,11as,12as)-3-acetyl-1-dimethylamino-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-quinone
  • 1,11(4h,5h)-naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,6,10,12,12a-pentahydroxy-6-methyl-, (4s-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
  • adotc cpd
CAS Number(s)
  • 6542-44-5
InChIKey VCGJFFLJLRZIHG-OIVQWWNTSA-N
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