Chem
J-GLOBAL ID：200907055262373435   Nikkaji number：J2.707.975J

4β-Hydroxy-7-methyl-7β,9aβ-epoxy-1,2,3,4,4aβ,6,7,9a-octahydro-5H-benzocycloheptene-5-one

(1R,5R,6S,9R)-5-ヒドロキシ-9-メチル-12-オキサトリシクロ[7.2.1.01,6]ドデカ-10-エン-7-オン
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： C12H16O3
Molecular formula furigana： C12-H16-O3
Molecular weight： 208.257
InChI： InChI=1S/C12H16O3/c1-11-5-6-12(15-11)4-2-3-8(13)10(12)9(14)7-11/h5-6,8,10,13H,2-4,7H2,1H3/t8-,10-,11+,12-/m1/s1
InChI key： QBLJDLYNWSXHFY-KXGXSXBTSA-N
SMILES： C[C@]12CC(=O)[C@H]3[C@H](O)CCC[C@@]3(O1)C=C2
Systematic name  (4)：
  • 4β-ヒドロキシ-7-メチル-7β,9aβ-エポキシ-1,2,3,4,4aβ,6,7,9a-オクタヒドロ-5H-ベンゾシクロヘプテン-5-オン
  • (4R)-4β-ヒドロキシ-7-メチル-7β,9aβ-エポキシ-1,2,3,4,4aβ,6,7,9a-オクタヒドロ-5H-ベンゾシクロヘプテン-5-オン
  • (1R,5R,6S,9R)-5-ヒドロキシ-9-メチル-12-オキサトリシクロ[7.2.1.01,6]ドデカ-10-エン-7-オン
  • (1R,5R,6S,9R)-5-hydroxy-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-10-en-7-one
Other name (2)：
  • 4β-Hydroxy-7-methyl-7β,9aβ-epoxy-1,2,3,4,4aβ,6,7,9a-octahydro-5H-benzocycloheptene-5-one
  • (4R)-4β-Hydroxy-7-methyl-7β,9aβ-epoxy-1,2,3,4,4aβ,6,7,9a-octahydro-5H-benzocycloheptene-5-one
Thsaurus map：
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