Chem
J-GLOBAL ID：200907059096773859   Nikkaji number：J2.020.947J

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

3-デエチル-3-(ヒドロキシシクロペンチルメチル)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： C38H44N4O4
Molecular formula furigana： C38-H44-N4-O4
Molecular weight： 620.794
InChI： InChI=1S/C38H44N4O4/c1-7-23-18(2)26-17-31-34(38(45)22-10-8-9-11-22)20(4)28(40-31)15-27-19(3)24(12-13-33(44)46-6)36(41-27)25-14-32(43)35-21(5)29(42-37(25)35)16-30(23)39-26/h15-17,19,22,24,38,40,42,45H,7-14H2,1-6H3/b26-17-,27-15-,28-15+,29-16-,30-16-,31-17+,36-25-/t19-,24-,38?/m0/s1
InChI key： XAKYEUUESDYEHZ-PEDASUJZSA-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(O)C2CCCC2)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3)：
  • 3-デエチル-3-(ヒドロキシシクロペンチルメチル)フィトクロリンメチル
  • メチル 3-[(21S,22S)-16-[シクロペンチル(ヒドロキシ)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-[cyclopentyl(hydroxy)methyl]-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-(hydroxycyclopentylmethyl)phytochlorin methyl ester
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