Chem
J-GLOBAL ID：201807014245079304   Nikkaji number：J3.726.488A

3-Vinyl-3-deethyl-22-methyl-22-azoniaphytochlorin methyl ester

3-ビニル-3-デエチル-22-メチル-22-アゾニアフィトクロリンメチル
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： C35H39N3[N+]O3
Molecular formula furigana： C35-H39-N4-O3
Molecular weight： 563.721
InChI： InChI=1S/C35H38N4O3/c1-9-21-17(3)25-14-26-18(4)23(11-12-32(41)42-8)34(37-26)24-13-31(40)33-20(6)27(38-35(24)33)15-30-22(10-2)19(5)29(39(30)7)16-28(21)36-25/h9,14-16,18,23H,1,10-13H2,2-8H3,(H,36,37,38,40)/p+1/t18-,23-/m0/s1
InChI key： MPMOUKMYMAWUOO-MBSDFSHPSA-O
SMILES： CCC1=C(C)C2=[N+](/C/1=C\c1c(c3C(=O)C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-22-メチル-22-アゾニアフィトクロリンメチル
  • (21S,22S)-16-エテニル-11-エチル-22-(3-メトキシ-3-オキソプロピル)-12,17,21,25,26-ペンタメチル-4-オキソ-7,23,24,25-テトラアザヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサ-1,5,8(26),9,11,13(25),14,16,18,20(23)-デカエン-25-イウム
  • (21S,22S)-16-ethenyl-11-ethyl-22-(3-methoxy-3-oxopropyl)-12,17,21,25,26-pentamethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-25-ium
Other name (1)：
  • 3-Vinyl-3-deethyl-22-methyl-22-azoniaphytochlorin methyl ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM