Chem
J-GLOBAL ID：200907036302154796   Nikkaji number：J1.480.971F

Scyphostatin

シホスタチン
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： C29H43NO5
Molecular formula furigana： C29-H43-N-O5
Molecular weight： 485.665
InChI： InChI=1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25+,28+,29-/m1/s1
InChI key： KSIWZCYBCSQXTA-JPOQAJQISA-N
SMILES： CC[C@@H](C)/C=C(\C)/C[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/C(=O)N[C@H](CO)C[C@]1(O)[C@H]2O[C@H]2C=CC1=O
Systematic name  (3)：
  • (2E,4E,6E,8R,10S,12E,14R)-N-[(S)-1-(ヒドロキシメチル)-2-[(1S,2S,6S)-2-ヒドロキシ-3-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-2-イル]エチル]-8,10,12,14-テトラメチル-2,4,6,12-ヘキサデカテトラエナミド
  • (2E,4E,6E,8R,10S,12E,14R)-N-[(2S)-1-ヒドロキシ-3-[(1S,2S,6S)-2-ヒドロキシ-3-オキソ-7-オキサビシクロ[4.1.0]ヘプタ-4-エン-2-イル]プロパン-2-イル]-8,10,12,14-テトラメチルヘキサデカ-2,4,6,12-テトラエンアミド
  • (2E,4E,6E,8R,10S,12E,14R)-N-[(2S)-1-hydroxy-3-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hept-4-en-2-yl]propan-2-yl]-8,10,12,14-tetramethylhexadeca-2,4,6,12-tetraenamide
Other name (7)：
  • (2E,4E,6E,8R,10S,12E,14R)-N-[(S)-1-(Hydroxymethyl)-2-[(1S,2S,6S)-2-hydroxy-3-oxo-7-oxabicyclo[4.1.0]hepta-4-ene-2-yl]ethyl]-8,10,12,14-tetramethyl-2,4,6,12-hexadecatetraenamide
  • スキホスタチン
  • シホスタチン
  • F-10463a
  • Scyphostatin
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CAS registry number： 169062-93-5
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