Chem
J-GLOBAL ID：201807012504748624   Nikkaji number：J3.722.080I

Garlicnin Q

ガーリックニンQ
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： C11H14O3[O-]S2[S+]
Molecular formula furigana： C11-H14-O4-S3
Molecular weight： 306.410
InChI： InChI=1S/C11H14O4S3/c1-2-5-16-17-11-4-3-6-18(14)9(11)10(13)15-7-8(11)12/h2-3,6,8-9,12H,1,4-5,7H2/t8-,9?,11-,18?/m1/s1
InChI key： KYAMZDQGDYTTMJ-NKVWGYGGSA-N
SMILES： O[C@@H]1COC(=O)C2[S+]([O-])C=CC[C@@]12SSCC=C
Systematic name  (3)：
  • 4aα-(アリルジチオ)-5α-ヒドロキシ-8-オキソ-1-チア-7-オキサデカリン-2-エン-1-オキシド
  • (4aR,5R)-5-ヒドロキシ-8-オキソ-4a-(プロパ-2-エン-1-イルジスルファニル)-1H,4H,4aH,5H,6H,8H,8aH-チオピラノ[2,3-c]ピラン-1-イウム-1-オラート
  • (4aR,5R)-5-hydroxy-8-oxo-4a-(prop-2-en-1-yldisulfanyl)-1H,4H,4aH,5H,6H,8H,8aH-thiopyrano[2,3-c]pyran-1-ium-1-olate
Other name (3)：
  • 4aα-(Allyldithio)-5α-hydroxy-8-oxo-1-thia-7-oxadecalin-2-ene-1-oxide
  • ガーリックニンQ
  • Garlicnin Q
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