Chem
J-GLOBAL ID:200907025464741979   Nikkaji number:J1.527.963J

(3R,3aα,7aα)-6β-Hydroxy-3α-(2-naphthylthiomethyl)-6-methyloctahydrobenzofuran-2,5-dione

(3R,3aα,7aα)-6β-ヒドロキシ-3α-(2-ナフチルチオメチル)-6-メチルオクタヒドロベンゾフラン-2,5-ジオン
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: C20H20O4S
Molecular formula furigana: C20-H20-O4-S
Molecular weight: 356.440
InChI: InChI=1S/C20H20O4S/c1-20(23)10-17-15(9-18(20)21)16(19(22)24-17)11-25-14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-17,23H,9-11H2,1H3/t15-,16-,17-,20+/m1/s1
InChI key: WKCNRVOVTIKWDG-VIPLHTEESA-N
SMILES: C[C@]1(O)C[C@H]2OC(=O)[C@H](CSc3ccc4ccccc4c3)[C@H]2CC1=O
Systematic name  (3):
  • (3R,3aα,7aα)-6β-ヒドロキシ-3α-(2-ナフチルチオメチル)-6-メチルオクタヒドロベンゾフラン-2,5-ジオン
  • (3R,3aR,6S,7aR)-6-ヒドロキシ-6-メチル-3-[(ナフタレン-2-イルスルファニル)メチル]-オクタヒドロ-1-ベンゾフラン-2,5-ジオン
  • (3R,3aR,6S,7aR)-6-hydroxy-6-methyl-3-[(naphthalen-2-ylsulfanyl)methyl]-octahydro-1-benzofuran-2,5-dione
Other name (1):
  • (3R,3aα,7aα)-6β-Hydroxy-3α-(2-naphthylthiomethyl)-6-methyloctahydrobenzofuran-2,5-dione
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