Chem
J-GLOBAL ID：201807019427011790   Nikkaji number：J3.726.497K

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

3-ビニル-3-デエチル-15-(2-オキソ-2-メトキシエチル)-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： C38H45N3[N+]O6
Molecular formula furigana： C38-H45-N4-O6
Molecular weight： 653.799
InChI： InChI=1S/C38H44N4O6/c1-11-23-19(3)27-16-28-20(4)25(13-14-33(43)46-8)36(40-28)26(15-34(44)47-9)37-35(38(45)48-10)22(6)29(41-37)17-32-24(12-2)21(5)31(42(32)7)18-30(23)39-27/h11,16-18,20,25H,1,12-15H2,2-10H3,(H,39,40,41,45)/p+1/t20-,25-/m0/s1
InChI key： FMXVSLMQWMOYPF-CPJSRVTESA-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)OC)c(c1C)C(=O)OC)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-15-(2-オキソ-2-メトキシエチル)-22-メチル-22-アゾニアロドクロリンジメチル
  • (9S,10S)-15-エテニル-20-エチル-7-(2-メトキシ-2-オキソエチル)-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)-15-ethenyl-20-ethyl-7-(2-methoxy-2-oxoethyl)-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-methoxyethyl)-22-methyl-22-azoniarhodochlorin dimethyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM