Chem
J-GLOBAL ID：200907063130133594   Nikkaji number：J15.980H

Pheophorbide b

フェオホルビドb
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： C35H34N4O6
Molecular formula furigana： C35-H34-N4-O6
Molecular weight： 606.679
InChI： InChI=1S/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H,1,8-10H2,2-6H3,(H,41,42)/b22-11+,23-11-,24-12-,25-13+,26-12-,27-13-,32-30-/t16-,20-,31+/m0/s1
InChI key： PROPHBCDMQAJMH-FFFOCVMSSA-N
SMILES： CCC1=C(C=O)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  (5)：
  • (132R)-7-デメチル-7-ホルミル-3-デエチル-3-ビニル-132α-(メトキシカルボニル)フィトクロリン
  • (132R)-71-オキソ-132α-メトキシカルボニル-31,32-ジデヒドロフィトクロリン
  • (17S,18S)-71-オキソ-31,32-ジデヒドロ-132α-(メトキシカルボニル)-17,18-ジヒドロフィトポルフィリン
  • 3-[(3R,21S,22S)-16-エテニル-11-エチル-12-ホルミル-3-(メトキシカルボニル)-17,21,26-トリメチル-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-22-イル]プロパン酸
  • 3-[(3R,21S,22S)-16-ethenyl-11-ethyl-12-formyl-3-(methoxycarbonyl)-17,21,26-trimethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid
Other name (8)：
  • フェオホルビドb
  • Pheophorbide b
  • Phaeophorbide b
  • (132R)-7-Demethyl-7-formyl-3-deethyl-3-vinyl-132α-(methoxycarbonyl)phytochlorin
  • (132R)-71-Oxo-132α-methoxycarbonyl-31,32-didehydrophytochlorin
Show all
CAS registry number： 20239-99-0
Regulation number (2)：
  • EINECS2436261
  • TSCA(20239-99-0)
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