Chem
J-GLOBAL ID：201307042917920360   Nikkaji number：J3.217.289J

(131R)-131-Phenyl-131-hydroxy-131-deoxo-31,32-didehydrophytochlorin methyl ester

(131R)-131-フェニル-131-ヒドロキシ-131-デオキソ-31,32-ジデヒドロ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： C40H42N4O3
Molecular formula furigana： C40-H42-N4-O3
Molecular weight： 626.801
InChI： InChI=1S/C40H42N4O3/c1-8-26-21(3)30-17-32-23(5)28(15-16-36(45)47-7)38(43-32)29-20-40(46,25-13-11-10-12-14-25)37-24(6)33(44-39(29)37)19-35-27(9-2)22(4)31(42-35)18-34(26)41-30/h8,10-14,17-19,23,28,41,44,46H,1,9,15-16,20H2,2-7H3/b30-17+,31-18-,32-17-,33-19-,34-18+,35-19-,38-29-/t23-,28-,40+/m0/s1
InChI key： KBUYKNMGOJULEJ-KREKURHTSA-N
SMILES： CCC1=C(C)C2=N/C/1=C\c1c(c3[C@](C/C(=C\4/N=C(/C=c\5/[nH]/c(=C/2)/c(c5C)C=C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)(O)c1ccccc1)C
Systematic name  (3)：
  • (131R)-131-フェニル-131-ヒドロキシ-131-デオキソ-31,32-ジデヒドロフィトクロリンメチル
  • メチル 3-[(4R,21S,22S)-16-エテニル-11-エチル-4-ヒドロキシ-12,17,21,26-テトラメチル-4-フェニル-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-[(4R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-4-phenyl-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)：
  • (131R)-131-Phenyl-131-hydroxy-131-deoxo-31,32-didehydrophytochlorin methyl ester
Thsaurus map：
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