Chem
J-GLOBAL ID：200907020058632032   Nikkaji number：J690.205G

2,2′-[Pentamethylenebis(oxycarbonylethylene)]bis[(1R,2R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium]

2,2′-[ペンタメチレンビス(オキシカルボニルエチレン)]ビス[(1R,2R)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチル-1-ベラトリルイソキノリニウム]
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： C53H72[N+]2O12
Molecular formula furigana： C53-H72-N2-O12
Molecular weight： 929.160
InChI： InChI=1S/C53H72N2O12/c1-54(22-18-38-32-48(62-7)50(64-9)34-40(38)42(54)28-36-14-16-44(58-3)46(30-36)60-5)24-20-52(56)66-26-12-11-13-27-67-53(57)21-25-55(2)23-19-39-33-49(63-8)51(65-10)35-41(39)43(55)29-37-15-17-45(59-4)47(31-37)61-6/h14-17,30-35,42-43H,11-13,18-29H2,1-10H3/q+2/t42-,43-,54-,55-/m1/s1
InChI key： YXSLJKQTIDHPOT-LJCJQEJUSA-N
SMILES： COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
Systematic name  (4)：
  • 2,2′-(ペンタン-1,5-ジイル)ビス[オキシ(3-オキソプロパン-3,1-ジイル)]ビス[(1R,2R)-1-[(3,4-ジメトキシフェニル)メチル]-2-メチル-6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリニウム]
  • 2,2′-[ペンタメチレンビス(オキシカルボニルエチレン)]ビス[(1R,2R)-1,2,3,4-テトラヒドロ-6,7-ジメトキシ-2-メチル-1-ベラトリルイソキノリニウム]
  • (1R,2R)-1-[(3,4-ジメトキシフェニル)メチル]-2-(3-{[5-({3-[(1R,2R)-1-[(3,4-ジメトキシフェニル)メチル]-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム-2-イル]プロパノイル}オキシ)ペンチル]オキシ}-3-オキソプロピル)-6,7-ジメトキシ-2-メチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
  • (1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-2-(3-{[5-({3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanoyl}oxy)pentyl]oxy}-3-oxopropyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Other name (2)：
  • 2,2′-[Pentamethylenebis(oxycarbonylethylene)]bis[(1R,2R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium]
  • 2,2′-(Pentane-1,5-diyl)bis[oxy(3-oxopropane-3,1-diyl)]bis[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium]
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM