Chem
J-GLOBAL ID：200907002466061800   Nikkaji number：J2.037.096C

(3S)-3aα-Methyl-2,3,3a,4,5,10bβ-hexahydro-1H-benzo[b]indeno[5,4-d]thiophene-3α,8-diol

(3S)-3aα-メチル-2,3,3a,4,5,10bβ-ヘキサヒドロ-1H-ベンゾ[b]インデノ[5,4-d]チオフェン-3α,8-ジオール
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/c1-16-7-6-11-10-3-2-9(17)8-13(10)19-15(11)12(16)4-5-14(16)18/h2-3,8,12,14,17-18H,4-7H2,1H3/t12-,14-,16-/m0/s1
InChI key： BFURSXBSEDPUOS-NOLJZWGESA-N
SMILES： C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • (3S)-3aα-メチル-2,3,3a,4,5,10bβ-ヘキサヒドロ-1H-ベンゾ[b]インデノ[5,4-d]チオフェン-3α,8-ジオール
  • (2R,5S,6S)-6-メチル-16-チアテトラシクロ[7.7.0.02,6.010,15]ヘキサデカ-1(9),10,12,14-テトラエン-5,13-ジオール
  • (2R,5S,6S)-6-methyl-16-thiatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-5,13-diol
Other name (1)：
  • (3S)-3aα-Methyl-2,3,3a,4,5,10bβ-hexahydro-1H-benzo[b]indeno[5,4-d]thiophene-3α,8-diol
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