Chem
J-GLOBAL ID：200907058713559758   Nikkaji number：J2.326.032H

3β-(Phenylthiomethyl)-6α-methyl-1,3,3aβ,6,7,7aβ-hexahydroisobenzofuran-1-one

3β-(フェニルチオメチル)-6α-メチル-1,3,3aβ,6,7,7aβ-ヘキサヒドロイソベンゾフラン-1-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： C16H18O2S
Molecular formula furigana： C16-H18-O2-S
Molecular weight： 274.380
InChI： InChI=1S/C16H18O2S/c1-11-7-8-13-14(9-11)16(17)18-15(13)10-19-12-5-3-2-4-6-12/h2-8,11,13-15H,9-10H2,1H3/t11-,13+,14-,15-/m0/s1
InChI key： GKEOWYZIXGVVKL-ATGSNQNLSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H](C=C1)[C@H](CSc1ccccc1)OC2=O
Systematic name  (4)：
  • (3R)-3β-[(フェニルチオ)メチル]-6α-メチル-3,3aβ,6,7-テトラヒドロイソベンゾフラン-1(7aβH)-オン
  • 3β-(フェニルチオメチル)-6α-メチル-1,3,3aβ,6,7,7aβ-ヘキサヒドロイソベンゾフラン-1-オン
  • (3R,3aR,6R,7aS)-6-メチル-3-[(フェニルスルファニル)メチル]-1,3,3a,6,7,7a-ヘキサヒドロ-2-ベンゾフラン-1-オン
  • (3R,3aR,6R,7aS)-6-methyl-3-[(phenylsulfanyl)methyl]-1,3,3a,6,7,7a-hexahydro-2-benzofuran-1-one
Other name (2)：
  • (3R)-3β-[(Phenylthio)methyl]-6α-methyl-3,3aβ,6,7-tetrahydroisobenzofuran-1(7aβH)-one
  • 3β-(Phenylthiomethyl)-6α-methyl-1,3,3aβ,6,7,7aβ-hexahydroisobenzofuran-1-one
Thsaurus map：
Thesaurus Map

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