Chem
J-GLOBAL ID:200907087126180665
Nikkaji number:J472.746K
Uroporphyrin I octamethyl
ウロポルフィリンIオクタメチル
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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:
C48 H54 N4 O16
Molecular formula furigana:
C48-H54-N4-O16
Molecular weight:
942.972
InChI:
InChI=1S/C48H54N4O16/c1-61-41(53)13-9-25-29(17-45(57)65-5)37-22-34-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-34)24-36-28(12-16-44(56)64-4)32(20-48(60)68-8)40(52-36)23-35-26(10-14-42(54)62-2)30(18-46(58)66-6)38(50-35)21-33(25)49-37/h21-24,49,52H,9-20H2,1-8H3/b33-21-,34-22-,35-23-,36-24-,37-22-,38-21-,39-24-,40-23-
InChI key:
RZIFHRRCTMJBHH-GOJGWFAPSA-N
SMILES:
COC(=O)CCC1=C(CC(=O)OC)C2=N/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4CC(=O)OC)CCC(=O)OC)C(=C3CC(=O)OC)CCC(=O)OC)c(c1CC(=O)OC)CCC(=O)OC
Systematic name (2):
ウロポルフィリンIオクタメチル
2,7,12,17-テトラキス(メトキシカルボニルメチル)-21H,23H-ポルフィリン-3,8,13,18-テトラキス(プロパン酸メチル)
Other name (3):
Uroporphyrin I octamethyl ester
Uroporphyrin I octamethyl
2,7,12,17-Tetrakis(methoxycarbonylmethyl)-21H,23H-porphyrin-3,8,13,18-tetrakis(propanoic acid methyl) ester
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