Chem
J-GLOBAL ID：200907033255253218   Nikkaji number：J1.569.976K

9,10-cis-Didehydroepothilone D

9,10-cis-ジデヒドロエポチロンD
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： C27H39NO5S
Molecular formula furigana： C27-H39-N-O5-S
Molecular weight： 489.670
InChI： InChI=1S/C27H39NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h8,10-11,13,15,17,19,22-23,25,29,31H,9,12,14H2,1-7H3/b10-8-,16-11-,18-13+/t17-,19+,22?,23-,25-/m0/s1
InChI key： XAYAKDZVINDZGB-FMEWUGFJSA-N
SMILES： C[C@H]1/C=C\C/C(=C\CC(OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)/C(=C/c1csc(C)n1)/C)/C
Systematic name  (3)：
  • (4S,7R,8S,9S,10Z,13Z,16S)-4α,8β-ジヒドロキシ-5,5,7α,9β,13-ペンタメチル-16β-[(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ン-10,13-ジエン-2,6-ジオン
  • (4S,7R,8S,9S,10Z,13Z,16S)-4,8-ジヒドロキシ-5,5,7,9,13-ペンタメチル-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-10,13-ジエン-2,6-ジオン
  • (4S,7R,8S,9S,10Z,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadeca-10,13-diene-2,6-dione
Other name (3)：
  • 9,10-cis-ジデヒドロエポチロンD
  • 9,10-cis-Didehydroepothilone D
  • (4S,7R,8S,9S,10Z,13Z,16S)-4α,8β-Dihydroxy-5,5,7α,9β,13-pentamethyl-16β-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-1-oxacyclohexadecane-10,13-diene-2,6-dione
CAS registry number： 220889-57-6
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