Chem
J-GLOBAL ID:200907051361408130   Nikkaji number:J1.911.926B

(31S)-31-Hydroxy-82-phenylphytochlorin methyl ester

(31S)-31-ヒドロキシ-82-フェニ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: C40H42N4O4
Molecular formula furigana: C40-H42-N4-O4
Molecular weight: 642.800
InChI: InChI=1S/C40H42N4O4/c1-20-26(13-12-25-10-8-7-9-11-25)33-18-32-23(4)38-35(46)16-28(40(38)44-32)39-27(14-15-36(47)48-6)21(2)30(43-39)17-31-22(3)37(24(5)45)34(42-31)19-29(20)41-33/h7-11,17-19,21,24,27,42,44-45H,12-16H2,1-6H3/b29-19-,30-17-,31-17+,32-18-,33-18-,34-19+,39-28-/t21-,24-,27-/m0/s1
InChI key: LFNYSFSIJVWUBW-FGMPHMAGSA-N
SMILES: COC(=O)CC[C@H]1[C@H](C)C2=N/C/1=C/1\c3[nH]c(/C=C/4\N=C(/C=c\5/[nH]/c(=C/2)/c(c5[C@H](C)O)C)C(=C4CCc2ccccc2)C)c(c3C(=O)C1)C
Systematic name  (4):
  • (31S)-31-ヒドロキシ-82-フェニルフィトクロリンメチル
  • 3-[(S)-1-ヒドロキシエチル]-8-(2-フェニルエチル)-3,8-ジデエチルフィトクロリンメチル
  • メチル 3-[(21S,22S)-16-[(1S)-1-ヒドロキシエチル]-12,17,21,26-テトラメチル-4-オキソ-11-(2-フェニルエチル)-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-[(1S)-1-hydroxyethyl]-12,17,21,26-tetramethyl-4-oxo-11-(2-phenylethyl)-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 (2):
  • (31S)-31-Hydroxy-82-phenylphytochlorin methyl ester
  • 3-[(S)-1-Hydroxyethyl]-8-(2-phenylethyl)-3,8-dideethylphytochlorin methyl ester
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