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J-GLOBAL ID：200907002145808238   Nikkaji number：J431.514F

2,7,12,18α-Tetramethyl-8-ethyl-131,132,17,18-tetrahydro-131-oxo-132α-methoxycarbonyl-3-vinyl-21H,23H-cyclopenta[mn]porphyrin-17β-propionic acid

2,7,12,18α-テトラメチル-8-エチル-131,132,17,18-テトラヒドロ-131-オキソ-132α-メトキシカルボニル-3-ビニル-21H,23H-シクロペンタ[mn]ポルフィリン-17β-プロピオン酸
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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： C35H36N4O5
Molecular formula furigana： C35-H36-N4-O5
Molecular weight： 592.696
InChI： InChI=1S/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9-11H2,2-7H3,(H,40,41)/b22-12+,23-13-,24-12-,25-14-,26-13+,27-14-,32-30-/t17-,21-,31+/m0/s1
InChI key： NSFSLUUZQIAOOX-GXACGCMPSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3C(=O)[C@@H](/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(=O)OC)C
Systematic name  (2)：
  • 2,7,12,18α-テトラメチル-8-エチル-131,132,17,18-テトラヒドロ-131-オキソ-132α-メトキシカルボニル-3-ビニル-21H,23H-シクロペンタ[mn]ポルフィリン-17β-プロピオン酸
  • (132R,17S,18S)-132-(メトキシカルボニル)-131(132H)-オキソ-8-エチル-3-エテニル-2,7,12,18-テトラメチル-17,18-ジヒドロ-21H,23H-シクロペンタ[mn]ポルフィリン-17-プロパン酸
Other name (2)：
  • 2,7,12,18α-Tetramethyl-8-ethyl-131,132,17,18-tetrahydro-131-oxo-132α-methoxycarbonyl-3-vinyl-21H,23H-cyclopenta[mn]porphyrin-17β-propionic acid
  • (132R,17S,18S)-132-(Methoxycarbonyl)-131(132H)-oxo-8-ethyl-3-ethenyl-2,7,12,18-tetramethyl-17,18-dihydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid
KEGG COMPOUND： C18021
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