Chem
J-GLOBAL ID：200907087478649809   Nikkaji number：J2.020.951H

3-Deethyl-3-formyl-131-deoxo-131,131-(ethylenedioxy)phytochlorin methyl ester

3-デエチル-3-ホルミル-131-デオキソ-131,131-(エチレンジオキシ)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： C35H38N4O5
Molecular formula furigana： C35-H38-N4-O5
Molecular weight： 594.712
InChI： InChI=1S/C35H38N4O5/c1-7-21-17(2)26-13-30-24(16-40)19(4)25(37-30)12-27-18(3)22(8-9-31(41)42-6)33(38-27)23-15-35(43-10-11-44-35)32-20(5)28(39-34(23)32)14-29(21)36-26/h12-14,16,18,22,37,39H,7-11,15H2,1-6H3/b25-12+,26-13-,27-12-,28-14-,29-14-,30-13+,33-23-/t18-,22-/m0/s1
InChI key： GJSRWWBNXKDPPP-HRTNYFLKSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3C4(C/C(=C\5/N=C(/C=c\6/[nH]/c(=C/2)/c(c6C)C=O)[C@H]([C@@H]5CCC(=O)OC)C)/c3[nH]1)OCCO4)C
Systematic name  (3)：
  • 3-デエチル-3-ホルミル-131-デオキソ-131,131-(エチレンジオキシ)フィトクロリンメチル
  • メチル 3-[(21'S,22'S)-11'-エチル-16'-ホルミル-12',17',21',26'-テトラメチル-7',23',24',25'-テトラアザスピロ[1,3-ジオキソラン-2,4'-ヘキサシクロ[18.2.1.15,8.110,13.115,18.02,6]ヘキサコサン]-1',5',8'(26'),9',11',13'(25'),14',16',18',20'(23')-デカエン-22'-イル]プロパノアート
  • methyl 3-[(21'S,22'S)-11'-ethyl-16'-formyl-12',17',21',26'-tetramethyl-7',23',24',25'-tetraazaspiro[1,3-dioxolane-2,4'-hexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosane]-1',5',8'(26'),9',11',13'(25'),14',16',18',20'(23')-decaen-22'-yl]propanoate
Other name (1)：
  • 3-Deethyl-3-formyl-131-deoxo-131,131-(ethylenedioxy)phytochlorin methyl ester
Thsaurus map：
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