Chem
J-GLOBAL ID：200907037135552616   Nikkaji number：J1.005.243B

Epothilone C

エポチロンC
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： C26H39NO5S
Molecular formula furigana： C26-H39-N-O5-S
Molecular weight： 477.660
InChI： InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24?/m0/s1
InChI key： BEFZAMRWPCMWFJ-SIALGABESA-N
SMILES： C[C@H]1CCC/C=C\C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)C1O)/C(=C/c1csc(C)n1)/C
Systematic name  (4)：
  • (4S,7R,8S,9S,13Z,16S)-4,8-ジヒドロキシ-5,5,7,9-テトラメチル-16-[(E)-1-メチル-2-(2-メチル-4-チアゾリル)エテニル]-1-オキサシクロヘキサデカ-13-エン-2,6-ジオン
  • (4S,7R,8S,9S,13Z,16S)-4,8-ジヒドロキシ-5,5,7,9-テトラメチル-16-[(E)-1-メチル-2-(2-メチル-4-チアゾリル)エテニル]-1-オキサ-13-シクロヘキサデセン-2,6-ジオン
  • (4S,7R,8S,9S,13Z,16S)-4,8-ジヒドロキシ-5,5,7,9-テトラメチル-16-[(1E)-1-(2-メチル-1,3-チアゾール-4-イル)プロパ-1-エン-2-イル]-1-オキサシクロヘキサデカ-13-エン-2,6-ジオン
  • (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
Other name (4)：
  • (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione
  • エポチロンC
  • Epothilone C
  • (4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-1-oxa-13-cyclohexadecene-2,6-dione
KEGG COMPOUND： C15694
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