Chem
J-GLOBAL ID：201007057523183292   Nikkaji number：J2.871.072K

(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 phytyl ester

(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： C55H74N4O5
Molecular formula furigana： C55-H74-N4-O5
Molecular weight： 871.220
InChI： InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56,59H,1,14-25,27H2,2-12H3/b34-26+,42-28+,43-29-,44-28-,45-30-,46-29+,47-30-,52-50-/t32-,33-,37+,41+,51-/m1/s1
InChI key： CQIKWXUXPNUNDV-PJGQHWQASA-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)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)/c3[nH]1)C(=O)OC)C
Systematic name  (1)：
  • (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-プロパン酸フィチル
Other name (1)：
  • (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 phytyl ester
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