Chem
J-GLOBAL ID：200907069533513620   Nikkaji number：J1.990.007J

Sch-642305

Sch-642305
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： C14H20O4
Molecular formula furigana： C14-H20-O4
Molecular weight： 252.310
InChI： InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1
InChI key： WTQWDNIIFGEBSZ-WGBDABJCSA-N
SMILES： C[C@H]1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@@H](O)C=CC2=O
Systematic name  (5)：
  • (4S,4aR,8S,12aR)-4α-ヒドロキシ-8β-メチル-4,4aβ,8,9,10,11,12,12aα-オクタヒドロ-1H-7-オキサベンゾシクロデセン-1,6(5H)-ジオン
  • (4S)-4α-ヒドロキシ-8β-メチル-4,4aβ,5,6,8,9,10,11,12,12aα-デカヒドロ-1H-7-オキサベンゾシクロデセン-1,6-ジオン
  • (1R,5S,10R,14S)-5-メチル-14-ヒドロキシ-4-オキサビシクロ[8.4.0]テトラデカン-12-エン-3,11-ジオン
  • (4S,8aR,12S,12aR)-12-ヒドロキシ-4-メチル-2,4,5,6,7,8,8a,9,12,12a-デカヒドロ-1H-3-ベンゾオキセシン-2,9-ジオン
  • (4S,8aR,12S,12aR)-12-hydroxy-4-methyl-2,4,5,6,7,8,8a,9,12,12a-decahydro-1H-3-benzoxecine-2,9-dione
Other name (5)：
  • (4S,4aR,8S,12aR)-4α-Hydroxy-8β-methyl-4,4aβ,8,9,10,11,12,12aα-octahydro-1H-7-oxabenzocyclodecene-1,6(5H)-dione
  • Sch-642305
  • (4S)-4α-Hydroxy-8β-methyl-4,4aβ,5,6,8,9,10,11,12,12aα-decahydro-1H-7-oxabenzocyclodecene-1,6-dione
  • (+)-Sch-642305
  • (1R,5S,10R,14S)-5-Methyl-14-hydroxy-4-oxabicyclo[8.4.0]tetradecane-12-ene-3,11-dione
CAS registry number： 643747-04-0
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