Chem
J-GLOBAL ID：201807001085584177   Nikkaji number：J3.726.493H

3-Vinyl-3-deethyl-22-methyl-22-azoniaphytochlorin

3-ビニル-3-デエチル-22-メチル-22-アゾニアフィトクロリン
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： C34H37N3[N+]O3
Molecular formula furigana： C34-H37-N4-O3
Molecular weight： 549.694
InChI： InChI=1S/C34H36N4O3/c1-8-20-16(3)24-13-25-17(4)22(10-11-31(40)41)33(36-25)23-12-30(39)32-19(6)26(37-34(23)32)14-29-21(9-2)18(5)28(38(29)7)15-27(20)35-24/h8,13-15,17,22H,1,9-12H2,2-7H3,(H2,35,36,37,39,40,41)/p+1/t17-,22-/m0/s1
InChI key： ZQMBOJLDBROWCM-JTSKRJEESA-O
SMILES： CCC1=C(C)C2=[N+](/C/1=C\c1c(c3C(=O)C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)O)C)/c3[nH]1)C)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-22-メチル-22-アゾニアフィトクロリン
  • (21S,22S)-22-(2-カルボキシエチル)-16-エテニル-11-エチル-12,17,21,25,26-ペンタメチル-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-25-イウム
  • (21S,22S)-22-(2-carboxyethyl)-16-ethenyl-11-ethyl-12,17,21,25,26-pentamethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-25-ium
Other name (1)：
  • 3-Vinyl-3-deethyl-22-methyl-22-azoniaphytochlorin
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