Chem
J-GLOBAL ID：200907078204563585   Nikkaji number：J1.911.921A

(31S)-31-Hydroxyphytochlorin methyl ester

(31S)-31-ヒドロ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： C34H38N4O4
Molecular formula furigana： C34-H38-N4-O4
Molecular weight： 566.702
InChI： InChI=1S/C34H38N4O4/c1-8-20-15(2)23-14-28-31(19(6)39)17(4)25(36-28)12-24-16(3)21(9-10-30(41)42-7)33(37-24)22-11-29(40)32-18(5)26(38-34(22)32)13-27(20)35-23/h12-14,16,19,21,36,38-39H,8-11H2,1-7H3/b23-14-,24-12-,25-12+,26-13-,27-13-,28-14+,33-22-/t16-,19-,21-/m0/s1
InChI key： OASXWOCWKHLRRH-VNSYRPNTSA-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@H](C)O)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (2)：
  • (31S)-31-ヒドロキシフィトクロリンメチル
  • 3-[(S)-1-ヒドロキシエチル]-3-デエチルフィトクロリンメチル
Other name (2)：
  • (31S)-31-Hydroxyphytochlorin methyl ester
  • 3-[(S)-1-Hydroxyethyl]-3-deethylphytochlorin methyl ester
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