Chem
J-GLOBAL ID:201107053762352375   Nikkaji number:J2.918.570K

Epothilone M

エポチロンM
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: C26H39NO7S
Molecular formula furigana: C26-H39-N-O7-S
Molecular weight: 509.660
InChI: InChI=1S/C26H39NO7S/c1-14-7-6-8-20-21(34-20)10-19(28)17(9-18-13-35-16(3)27-18)12-33-23(30)11-22(29)26(4,5)25(32)15(2)24(14)31/h9,13-15,19-22,24,28-29,31H,6-8,10-12H2,1-5H3/t14-,15+,19+,20+,21-,22-,24?/m0/s1
InChI key: RPAIUMQLLWRSES-WAGJBDBBSA-N
SMILES: C[C@H]1CCC[C@H]2O[C@H]2C[C@@H](O)C(=Cc2csc(C)n2)COC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)C1O
Systematic name  (3):
  • (3S,6R,7S,8S,12R,13S,15R)-3,7,15-トリヒドロキシ-4,4,6,8-テトラメチル-16-[(2-メチル-4-チアゾリル)メチレン]-12,13-エポキシ-18-オキサシクロオクタデカン-1,5-ジオン
  • (1S,3R,9S,12R,13S,14S,18R)-3,9,13-トリヒドロキシ-10,10,12,14-テトラメチル-4-[(2-メチル-1,3-チアゾール-4-イル)メチリデン]-6,19-ジオキサビシクロ[16.1.0]ノナデカン-7,11-ジオン
  • (1S,3R,9S,12R,13S,14S,18R)-3,9,13-trihydroxy-10,10,12,14-tetramethyl-4-[(2-methyl-1,3-thiazol-4-yl)methylidene]-6,19-dioxabicyclo[16.1.0]nonadecane-7,11-dione
Other name (3):
  • (3S,6R,7S,8S,12R,13S,15R)-3,7,15-Trihydroxy-4,4,6,8-tetramethyl-16-[(2-methyl-4-thiazolyl)methylene]-12,13-epoxy-18-oxacyclooctadecane-1,5-dione
  • エポチロンM
  • Epothilone M
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