Chem
J-GLOBAL ID：201407012885386219   Nikkaji number：J3.302.391J

Sekothrixide

セコトリキシド
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： C28H50O6
Molecular formula furigana： C28-H50-O6
Molecular weight： 482.702
InChI： InChI=1S/C28H50O6/c1-9-23(29)20(6)27(32)22(8)28(33)21(7)25-11-10-16(2)12-17(3)13-18(4)14-19(5)24(30)15-26(31)34-25/h10,17-23,25,27-29,32-33H,9,11-15H2,1-8H3/b16-10+/t17-,18-,19+,20-,21+,22+,23+,25+,27-,28+/m1/s1
InChI key： KJKRQOTYPMAJRP-KNZJIETLSA-N
SMILES： CC[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H]1C/C=C(\C)/C[C@@H](C)C[C@@H](C)C[C@H](C)C(=O)CC(=O)O1
Systematic name  (3)：
  • (5S,7R,9S,11E,14S)-5,7,9,11-テトラメチル-14-[(1R,2R,3S,4R,5R,6S)-2,4,6-トリヒドロキシ-1,3,5-トリメチルオクチル]-1-オキサシクロテトラデカ-11-エン-2,4-ジオン
  • (5S,7R,9S,11E,14S)-5,7,9,11-テトラメチル-14-[(2R,3R,4S,5R,6R,7S)-3,5,7-トリヒドロキシ-4,6-ジメチルノナン-2-イル]-1-オキサシクロテトラデカ-11-エン-2,4-ジオン
  • (5S,7R,9S,11E,14S)-5,7,9,11-tetramethyl-14-[(2R,3R,4S,5R,6R,7S)-3,5,7-trihydroxy-4,6-dimethylnonan-2-yl]-1-oxacyclotetradec-11-ene-2,4-dione
Other name (3)：
  • (5S,7R,9S,11E,14S)-5,7,9,11-Tetramethyl-14-[(1R,2R,3S,4R,5R,6S)-2,4,6-trihydroxy-1,3,5-trimethyloctyl]-1-oxacyclotetradeca-11-ene-2,4-dione
  • セコトリキシド
  • Sekothrixide
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