Chem
J-GLOBAL ID：200907057835707204   Nikkaji number：J37.089D

Pheophytin a

フェオフィチン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： 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+/m0/s1
InChI key： CQIKWXUXPNUNDV-MKLBZODSSA-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)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)/c3[nH]1)C(=O)OC)C
Systematic name  (1)：
  • (132R,17S,18S)-2,7,12,18-テトラメチル-3-ビニル-8-エチル-131-オキソ-131,132,17,18-テトラヒドロ-17-[3-[(3,7,11,15-テトラメチル-2-ヘキサデセニル)オキシ]-3-オキソプロピル]-21H,23H-シクロペンタ[mn]ポルフィリン-132-カルボン酸メチル
Other name (10)：
  • フェオフィチンa
  • Pheophytin a
  • Phaeophytin a
  • 2,8α,12,17-Tetramethyl-18-ethyl-13-vinyl-31-oxo-32α-(methoxycarbonyl)-31,32,7,8-tetrahydro-21H,23H-cyclopenta[cd]porphyrin-7β-propionic acid (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl ester
  • クロロフィル酸a
Show all
CAS registry number： 603-17-8
Regulation number (2)：
  • EINECS2100313
  • TSCA(603-17-8)
KEGG COMPOUND： C05797
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