Chem
J-GLOBAL ID：200907073340794165   Nikkaji number：J1.739.867I

(4aR)-10β-Methyl-2,3,4aα,10aβ-tetrahydro-1H,10H-4-oxa-9-thiaphenanthrene

(4aR)-10β-メチル-2,3,4aα,10aβ-テトラヒドロ-1H,10H-4-オキサ-9-チアフェナントレン
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： C13H16OS
Molecular formula furigana： C13-H16-O-S
Molecular weight： 220.330
InChI： InChI=1S/C13H16OS/c1-9-10-6-4-8-14-13(10)11-5-2-3-7-12(11)15-9/h2-3,5,7,9-10,13H,4,6,8H2,1H3/t9-,10-,13+/m0/s1
InChI key： MFUZPWIRRMLKHN-OUJBWJOFSA-N
SMILES： C[C@@H]1Sc2ccccc2[C@@H]2OCCC[C@@H]12
Systematic name  (4)：
  • (4aR)-5α-メチル-3,4,4aα,10bβ-テトラヒドロ-2H,5H-[1]ベンゾチオピラノ[4,3-b]ピラン
  • (4aR)-10β-メチル-2,3,4aα,10aβ-テトラヒドロ-1H,10H-4-オキサ-9-チアフェナントレン
  • (2R,7R,8S)-8-メチル-3-オキサ-9-チアトリシクロ[8.4.0.02,7]テトラデカ-1(14),10,12-トリエン
  • (2R,7R,8S)-8-methyl-3-oxa-9-thiatricyclo[8.4.0.02,7]tetradeca-1(14),10,12-triene
Other name (2)：
  • (4aR)-5α-Methyl-3,4,4aα,10bβ-tetrahydro-2H,5H-[1]benzothiopyrano[4,3-b]pyran
  • (4aR)-10β-Methyl-2,3,4aα,10aβ-tetrahydro-1H,10H-4-oxa-9-thiaphenanthrene
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