Chem
J-GLOBAL ID：200907069415902026   Nikkaji number：J1.084.642K

Uroporphyrin IV octamethyl ester

ウロポルフィリンIVオクタメチル
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： C48H54N4O16
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)37-22-35-27(11-15-43(55)63-3)31(19-47(59)67-7)39(51-35)24-40-32(20-48(60)68-8)28(12-16-44(56)64-4)36(52-40)23-38-30(18-46(58)66-6)26(10-14-42(54)62-2)34(50-38)21-33(25)49-37/h21-24,49,52H,9-20H2,1-8H3/b33-21-,34-21-,35-22-,36-23-,37-22-,38-23-,39-24-,40-24-
InChI key： ZOBWBZCJQDPHFS-OJKAWOKHSA-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(=C3CCC(=O)OC)CC(=O)OC)c(c1CCC(=O)OC)CC(=O)OC
Systematic name  (3)：
  • ウロポルフィリンIVオクタメチル
  • メチル 3-[5,10,14,19-テトラキス(2-メトキシ-2-オキソエチル)-9,15,20-トリス(3-メトキシ-3-オキソプロピル)-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1(20),2,4,6(24),7,9,11,13(22),14,16,18-ウンデカエン-4-イル]プロパノアート
  • methyl 3-[5,10,14,19-tetrakis(2-methoxy-2-oxoethyl)-9,15,20-tris(3-methoxy-3-oxopropyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate
Other name (1)：
  • Uroporphyrin IV octamethyl ester
Thsaurus map：
Thesaurus Map

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