Chem
J-GLOBAL ID：201007019202690290   Nikkaji number：J2.871.076C

(7R,8R,132R,17S,18S)-132-(Methoxycarbonyl)-131(132H)-oxo-3-acetyl-8-ethyl-2,7,12,18-tetramethyl-7,8,17,18-tetrahydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid phytyl ester

(7R,8R,132R,17S,18S)-132-(メトキシカルボニル)-131(132H)-オキソ-3-アセチル-8-エチル-2,7,12,18-テトラメチル-7,8,17,18-テトラヒドロ-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： C55H76N4O6
Molecular formula furigana： C55-H76-N4-O6
Molecular weight： 889.235
InChI： InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27+,44-28-,45-28-,46-29+,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1
InChI key： KWOZSBGNAHVCKG-JZWXKOMLSA-N
SMILES： CC[C@@H]1[C@@H](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(=O)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)：
  • (7R,8R,132R,17S,18S)-132-(メトキシカルボニル)-131(132H)-オキソ-3-アセチル-8-エチル-2,7,12,18-テトラメチル-7,8,17,18-テトラヒドロ-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)：
  • (7R,8R,132R,17S,18S)-132-(Methoxycarbonyl)-131(132H)-oxo-3-acetyl-8-ethyl-2,7,12,18-tetramethyl-7,8,17,18-tetrahydro-21H,23H-cyclopenta[mn]porphyrin-17-propanoic acid phytyl ester
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