Chem
J-GLOBAL ID：200907095631875743   Nikkaji number：J2.020.949F

3-Deethyl-3-(cyclopentylidenemethyl)phytochlorin methyl ester

3-デエチル-3-(シクロペンチリデンメチル)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： C38H42N4O3
Molecular formula furigana： C38-H42-N4-O3
Molecular weight： 602.779
InChI： InChI=1S/C38H42N4O3/c1-7-24-19(2)29-17-33-26(14-23-10-8-9-11-23)21(4)28(40-33)16-30-20(3)25(12-13-35(44)45-6)37(41-30)27-15-34(43)36-22(5)31(42-38(27)36)18-32(24)39-29/h14,16-18,20,25,40,42H,7-13,15H2,1-6H3/b28-16+,29-17-,30-16-,31-18-,32-18-,33-17+,37-27-/t20-,25-/m0/s1
InChI key： IFLWYOCHZMETLY-LCIQYVPUSA-N
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=C2CCCC2)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3)：
  • 3-デエチル-3-(シクロペンチリデンメチル)フィトクロリンメチル
  • メチル 3-[(21S,22S)-16-(シクロペンチリデンメチル)-11-エチル-12,17,21,26-テトラメチル-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-22-イル]プロパノアート
  • methyl 3-[(21S,22S)-16-(cyclopentylidenemethyl)-11-ethyl-12,17,21,26-tetramethyl-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-22-yl]propanoate
Other name (1)：
  • 3-Deethyl-3-(cyclopentylidenemethyl)phytochlorin methyl ester
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