Chem
J-GLOBAL ID:200907083781311106   Nikkaji number:J533.713E

6-Demethyl-6-deoxy-6β-(cyclopentylthiomethyl)tetracycline

6-デメチル-6-デオキシ-6β-(シクロペンチルチオメチル)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: C27H32N2O7S
Molecular formula furigana: C27-H32-N2-O7-S
Molecular weight: 528.620
InChI: InChI=1S/C27H32N2O7S/c1-29(2)21-16-10-14-15(11-37-12-6-3-4-7-12)13-8-5-9-17(30)18(13)22(31)19(14)24(33)27(16,36)25(34)20(23(21)32)26(28)35/h5,8-9,12,14-16,21,30,32-33,36H,3-4,6-7,10-11H2,1-2H3,(H2,28,35)/t14-,15+,16+,21+,27+/m1/s1
InChI key: FCZOHSJSLZUZLB-PEDMCIBRSA-N
SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](CSC4CCCC4)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
Systematic name  (3):
  • 6-デメチル-6-デオキシ-6β-(シクロペンチルチオメチル)テトラサイクリン
  • (4S,4aS,5aR,6R,12aS)-6-[(シクロペンチルスルファニル)メチル]-4-(ジメチルアミノ)-3,10,12,12a-テトラヒドロキシ-1,11-ジオキソ-1,4,4a,5,5a,6,11,12a-オクタヒドロテトラセン-2-カルボキサミド
  • (4S,4aS,5aR,6R,12aS)-6-[(cyclopentylsulfanyl)methyl]-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
Other name (1):
  • 6-Demethyl-6-deoxy-6β-(cyclopentylthiomethyl)tetracycline
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