Chem
J-GLOBAL ID：201207021783502537   Nikkaji number：J3.068.337D

3-Devinyl-3-(methoxymethyl)pyropheophorbide-a

3-デビニル-3-(メトキシメチル)ピロフェオホルビド-a
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： C41H52N4O8
Molecular formula furigana： C41-H52-N4-O8
Molecular weight： 728.887
InChI： InChI=1S/C41H52N4O8/c1-7-27-23(2)32-20-36-30(22-49-6)25(4)31(43-36)19-33-24(3)28(8-9-38(48)53-17-16-52-15-14-51-13-12-50-11-10-46)40(44-33)29-18-37(47)39-26(5)34(45-41(29)39)21-35(27)42-32/h19-21,24,28,43,45-46H,7-18,22H2,1-6H3/b31-19+,32-20-,33-19-,34-21-,35-21-,36-20+,40-29-/t24-,28-/m0/s1
InChI key： UAXCADPGCRBBHA-WKRGEACFSA-N
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)COC)[C@H]([C@@H]4CCC(=O)OCCOCCOCCOCCO)C)/c3[nH]1)C
Systematic name  (4)：
  • 31-メトキシ-31-デメチルフィトクロリン11-ヒドロキシ-3,6,9-トリオキサウンデカン-1-イル
  • 3-(メトキシメチル)-3-デエチルフィトクロリン17-(11-ヒドロキシ-3,6,9-トリオキサウンデカン-1-イル)
  • 3-デエチル-3-(メトキシメチル)フィトクロリン2-[2-[2-(2-ヒドロキシエトキシ)エトキシ]エトキシ]エチル
  • 3-(メトキシメチル)-3-デエチルフィトクロリン2-[2-[2-(2-ヒドロキシエトキシ)エトキシ]エトキシ]エチル
Other name (6)：
  • 31-Methoxy-31-demethylphytochlorin 11-hydroxy-3,6,9-trioxaundecane-1-yl ester
  • 3-(Methoxymethyl)-3-deethylphytochlorin 17-(11-hydroxy-3,6,9-trioxaundecane-1-yl) ester
  • 3-Deethyl-3-(methoxymethyl)phytochlorin 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl ester
  • 3-デビニル-3-(メトキシメチル)ピロフェオホルビド-a
  • 3-Devinyl-3-(methoxymethyl)pyropheophorbide-a
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