Chem
J-GLOBAL ID：200907041671439536   Nikkaji number：J1.601.955K

(7S,8S,25S)-2,8,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-25-hydroxy-26-oxo-7,8-dihydro-3,5-ethano-21H,23H-porphyrin-7-propionic acid phytyl ester

(7S,8S,25S)-2,8,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-25-ヒドロキシ-26-オキソ-7,8-ジヒドロ-3,5-エタノ-21H,23H-ポルフィリン-7-プロピオン酸フィチル
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： C55H74N4O6
Molecular formula furigana： C55-H74-N4-O6
Molecular weight： 887.219
InChI： InChI=1S/C55H74N4O6/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)65-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)51(58-44)50-52-49(53(61)55(50,63)54(62)64-12)38(11)45(59-52)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,56,59,63H,1,14-25,27H2,2-12H3/b34-26+,42-28+,43-29-,44-28-,45-30-,46-29+,47-30-,51-50+/t32-,33-,37+,41+,55+/m1/s1
InChI key： FXEQZWHMONOEMA-KQEXCHHDSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1[nH]c3/C(=C/4\N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/[C@@](C(=O)c3c1C)(O)C(=O)OC
Systematic name  (1)：
  • (7S,8S,25S)-2,8,12,17-テトラメチル-13-ビニル-18-エチル-25-(メトキシカルボニル)-25-ヒドロキシ-26-オキソ-7,8-ジヒドロ-3,5-エタノ-21H,23H-ポルフィリン-7-プロピオン酸フィチル
Other name (1)：
  • (7S,8S,25S)-2,8,12,17-Tetramethyl-13-vinyl-18-ethyl-25-(methoxycarbonyl)-25-hydroxy-26-oxo-7,8-dihydro-3,5-ethano-21H,23H-porphyrin-7-propionic acid phytyl ester
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