Chem
J-GLOBAL ID：200907033133175925   Nikkaji number：J34.260B

Thiobinupharidine

チオビヌファリジン
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： C30H42N2O2S
Molecular formula furigana： C30-H42-N2-O2-S
Molecular weight： 494.740
InChI： InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChI key： WBMOHCBEBDKSBI-JYZUVFRYSA-N
SMILES： C[C@@H]1CC[C@H](N2C[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@H](N3C4)c3ccoc3)CC[C@@H]12)c1ccoc1
Systematic name  (4)：
  • (3S,4′S,9aβ,9′′aβ)-6α,6′′α-ジ-(3-フリル)-1,6,7,8,9,9a,1′′,6′′,7′′,8′′,9′′,9a′′-ドデカヒドロ-9β,9′′β-ジメチルジスピロ[2H-キノリジン-3(4H),2′(3′H)-チオフェン-4′(5′H),3′′(4′′H)-[2H]キノリジン]
  • (7S,13S)-ネオチオビヌファリジン
  • (3S,4'S,6S,6''S,9R,9''R,9aS,9''aS)-6,6''-ビス(フラン-3-イル)-9,9''-ジメチル-ヘキサデカヒドロジスピロ[キノリジン-3,2'-チオラン-4',3''-キノリジン]
  • (3S,4'S,6S,6''S,9R,9''R,9aS,9''aS)-6,6''-bis(furan-3-yl)-9,9''-dimethyl-hexadecahydrodispiro[quinolizine-3,2'-thiolane-4',3''-quinolizine]
Other name (4)：
  • チオビヌファリジン
  • Thiobinupharidine
  • (3S,4′S,9aβ,9′′aβ)-6α,6′′α-Di-(3-furyl)-1,6,7,8,9,9a,1′′,6′′,7′′,8′′,9′′,9a′′-dodecahydro-9β,9′′β-dimethyldispiro[2H-quinolizine-3(4H),2′(3′H)-thiophene-4′(5′H),3′′(4′′H)-[2H]quinolizine]
  • (7S,13S)-Neothiobinupharidine
CAS registry number： 30343-72-7
KEGG COMPOUND： C09990
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