Chem
J-GLOBAL ID：200907046286245064   Nikkaji number：J2.741.332C

12-Dehydrotetracycline

12-デヒドロテトラサイクリン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C22H22N2O8
Molecular formula furigana： C22-H22-N2-O8
Molecular weight： 442.424
InChI： InChI=1S/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)/t10-,15-,21+,22+/m0/s1
InChI key： DUAVZCXHIINBQU-REHJSSHPSA-N
SMILES： CN(C)[C@H]1[C@@H]2CC3=C(C(=O)c4c(O)cccc4[C@@]3(C)O)C(=O)[C@@]2(O)C(=O)C(=C1O)C(=O)N
Systematic name  (3)：
  • (4S)-4β-(ジメチルアミノ)-1,4,4aβ,5,6,11,12,12a-オクタヒドロ-3,6α,10,12aβ-テトラヒドロキシ-6-メチル-1,11,12-トリオキソ-2-ナフタセンカルボアミド
  • (4S,4aS,6S,12aR)-4-(ジメチルアミノ)-3,6,10,12a-テトラヒドロキシ-6-メチル-1,11,12-トリオキソ-1,4,4a,5,6,11,12,12a-オクタヒドロテトラセン-2-カルボキサミド
  • (4S,4aS,6S,12aR)-4-(dimethylamino)-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide
Other name (3)：
  • (4S)-4β-(Dimethylamino)-1,4,4aβ,5,6,11,12,12a-octahydro-3,6α,10,12aβ-tetrahydroxy-6-methyl-1,11,12-trioxo-2-naphthacenecarboxamide
  • 12-Dehydrotetracycline
  • 12-デヒドロテトラサイクリン
KEGG COMPOUND： C03206
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