Chem
J-GLOBAL ID：200907015862559948   Nikkaji number：J1.282.236G

14-O-Butyrylfloridanolide

14-O-ブチリルフロリダノリド
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： C19H30O7
Molecular formula furigana： C19-H30-O7
Molecular weight： 370.442
InChI： InChI=1S/C19H30O7/c1-5-6-13(20)25-10-16(3)17(4,23)12-9-18(14(21)15(22)26-12)11(2)7-8-19(16,18)24/h11-12,14,21,23-24H,5-10H2,1-4H3/t11-,12?,14+,16-,17+,18+,19+/m1/s1
InChI key： RTKVHTYJGUYRQP-MYBKTBGHSA-N
SMILES： CCCC(=O)OC[C@@]1(C)[C@@]2(O)CC[C@@H](C)[C@@]32C[C@@H](OC(=O)[C@@H]3O)[C@]1(C)O
Systematic name  (4)：
  • (1R,4R,5R,6S,6aR,9R,9aS)-6-(ブチリルオキシメチル)-1,5,6a-トリヒドロキシデカヒドロ-4,9a-メタノ-5,6,9-トリメチルシクロペンタ[d]オキソシン-2-オン
  • (1R)-6β-(ブチリルオキシメチル)-1β,5α,6aα-トリヒドロキシ-4α,9aα-メタノ-5,6,9β-トリメチル-4,5,6,6a,7,8,9,9a-オクタヒドロシクロペンタ[d]オキソシン-2(1H)-オン
  • [(1S,2R,5R,6S,7R,8R,11R)-5,7,11-トリヒドロキシ-2,6,7-トリメチル-10-オキソ-9-オキサトリシクロ[6.3.1.01,5]ドデカン-6-イル]メチル ブタノアート
  • [(1S,2R,5R,6S,7R,8R,11R)-5,7,11-trihydroxy-2,6,7-trimethyl-10-oxo-9-oxatricyclo[6.3.1.01,5]dodecan-6-yl]methyl butanoate
Other name (4)：
  • (1R,4R,5R,6S,6aR,9R,9aS)-6-(Butyryloxymethyl)-1,5,6a-trihydroxydecahydro-4,9a-methano-5,6,9-trimethylcyclopenta[d]oxocin-2-one
  • (1R)-6β-(Butyryloxymethyl)-1β,5α,6aα-trihydroxy-4α,9aα-methano-5,6,9β-trimethyl-4,5,6,6a,7,8,9,9a-octahydrocyclopenta[d]oxocin-2(1H)-one
  • 14-O-ブチリルフロリダノリド
  • 14-O-Butyrylfloridanolide
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