Chem
J-GLOBAL ID：201807010795140072   Nikkaji number：J3.726.501B

3-Vinyl-3-deethyl-15-(2-oxo-2-hydroxyethyl)-22-methyl-22-azoniarhodochlorin dimethyl ester

3-ビニル-3-デエチル-15-(2-オキソ-2-ヒドロキシエチル)-22-メチル-22-アゾニアロドクロリンジメチル
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： C37H43N3[N+]O6
Molecular formula furigana： C37-H43-N4-O6
Molecular weight： 639.772
InChI： InChI=1S/C37H42N4O6/c1-10-22-18(3)26-15-27-19(4)24(12-13-33(44)46-8)35(39-27)25(14-32(42)43)36-34(37(45)47-9)21(6)28(40-36)16-31-23(11-2)20(5)30(41(31)7)17-29(22)38-26/h10,15-17,19,24H,1,11-14H2,2-9H3,(H2,38,39,40,42,43,45)/p+1/t19-,24-/m0/s1
InChI key： IIBCSASODHOGFJ-CYFREDJKSA-O
SMILES： CCC1=C(C)C2=[N+](/C/1=C\c1[nH]c(/C(=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)C=C)[C@H]([C@@H]3CCC(=O)OC)C)/CC(=O)O)c(c1C)C(=O)OC)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-15-(2-オキソ-2-ヒドロキシエチル)-22-メチル-22-アゾニアロドクロリンジメチル
  • (9S,10S)-7-(カルボキシメチル)-15-エテニル-20-エチル-9-(3-メトキシ-3-オキソプロピル)-5-(メトキシカルボニル)-4,10,14,19,21-ペンタメチル-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-1,3,5,7,11(23),12,14,16,18(21),19-デカエン-21-イウム
  • (9S,10S)-7-(carboxymethyl)-15-ethenyl-20-ethyl-9-(3-methoxy-3-oxopropyl)-5-(methoxycarbonyl)-4,10,14,19,21-pentamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-21-ium
Other name (1)：
  • 3-Vinyl-3-deethyl-15-(2-oxo-2-hydroxyethyl)-22-methyl-22-azoniarhodochlorin dimethyl ester
Thsaurus map：
Thesaurus Map

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