Chem
J-GLOBAL ID：201007025318807780   Nikkaji number：J2.834.688C

(7S,13aS)-2,3,9,10-Tetrahydroxy-7-[(E)-3,7-dimethyl-2,6-octadienyl]-5,6,7,8,13,13a-hexahydrodibenzo[a,g]quinolizinium

(7S,13aS)-2,3,9,10-テトラヒドロキシ-7-[(E)-3,7-ジメチル-2,6-オクタジエニル]-5,6,7,8,13,13a-ヘキサヒドロジベンゾ[a,g]キノリジニウム
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： C27H34[N+]O4
Molecular formula furigana： C27-H34-N-O4
Molecular weight： 436.571
InChI： InChI=1S/C27H33NO4/c1-17(2)5-4-6-18(3)9-11-28-12-10-20-14-25(30)26(31)15-21(20)23(28)13-19-7-8-24(29)27(32)22(19)16-28/h5,7-9,14-15,23H,4,6,10-13,16H2,1-3H3,(H3-,29,30,31,32)/p+1/b18-9+/t23-,28+/m0/s1
InChI key： JXQXQKVHWBSCHY-XOPVXPJYSA-O
SMILES： CC(=CCC/C(=C/C[N@+]12CCc3cc(O)c(O)cc3[C@@H]1Cc1ccc(O)c(O)c1C2)/C)C
Systematic name  (3)：
  • (7S,13aS)-2,3,9,10-テトラヒドロキシ-7-[(E)-3,7-ジメチル-2,6-オクタジエニル]-5,6,7,8,13,13a-ヘキサヒドロジベンゾ[a,g]キノリジニウム
  • (6S,12bS)-6-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-3,4,10,11-テトラヒドロキシ-5,6,7,8,12b,13-ヘキサヒドロ-6-アザテトラフェン-6-イウム
  • (6S,12bS)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4,10,11-tetrahydroxy-5,6,7,8,12b,13-hexahydro-6-azatetraphen-6-ium
Other name (1)：
  • (7S,13aS)-2,3,9,10-Tetrahydroxy-7-[(E)-3,7-dimethyl-2,6-octadienyl]-5,6,7,8,13,13a-hexahydrodibenzo[a,g]quinolizinium
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