Chem
J-GLOBAL ID:200907054529835330   Nikkaji number:J352.515E

Pyrophaeophorbide a methyl ester

ピロフェオホルビドaメチルエステル
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: C34H36N4O3
Molecular formula furigana: C34-H36-N4-O3
Molecular weight: 548.687
InChI: InChI=1S/C34H36N4O3/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24/h8,13-15,18,22,35,38H,1,9-12H2,2-7H3/b24-13+,25-14-,26-13-,27-15-,28-14+,29-15-,33-23-/t18-,22-/m0/s1
InChI key: RYLBYBPLWNFWPG-OQDIOCPCSA-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)C=C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (23):
  • (17β,18α)-31,32-ジデヒドロ-17,18-ジヒドロフィトポルフィリンメチル
  • (17β,18α)-17,18-ジヒドロ-3-ビニル-3-デエチルフィトポルフィリン17-メチル
  • 4α,8,13,18-テトラメチル-9-ビニル-14-エチル-20-オキソ-23,24,25,26-テトラアザヘキサシクロ[15.4.2.12,5.17,10.112,15.019,22]ヘキサコサン-1(22),2(26),5,7,9,11,13,15(24),16,18-デカエン-3β-プロパン酸メチル
  • (17S,18S)-17,18-ジヒドロ-31,32-ジデヒドロフィトポルフィリンメチル
  • 31,32-ジデヒドロフィトクロリンメチル
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Other name (26):
  • 3-Vinyl-17β-(3-methoxy-3-oxopropyl)-3-deethyl-17-des(2-carboxyethyl)phytochlorin
  • ピロフェオホルビドaメチルエステル
  • Pyrophaeophorbide a methyl ester
  • 3-Deethyl-3-vinylphytochlorin methyl ester
  • Pyropheophorbide a methyl ester
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