Chem
J-GLOBAL ID：200907017481409853   Nikkaji number：J2.099.909H

(31R)-31-Acetoxyphytochlorin methyl ester

(31R)-31-アセト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： C36H40N4O5
Molecular formula furigana： C36-H40-N4-O5
Molecular weight： 608.739
InChI： InChI=1S/C36H40N4O5/c1-9-22-16(2)25-15-30-33(20(6)45-21(7)41)18(4)27(38-30)13-26-17(3)23(10-11-32(43)44-8)35(39-26)24-12-31(42)34-19(5)28(40-36(24)34)14-29(22)37-25/h13-15,17,20,23,38,40H,9-12H2,1-8H3/b25-15-,26-13-,27-13+,28-14-,29-14-,30-15+,35-24-/t17-,20+,23-/m0/s1
InChI key： OENMNLUGJABSOP-MMKBRECESA-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)OC(=O)C)[C@H]([C@@H]4CCC(=O)OC)C)/c3[nH]1)C
Systematic name  (3)：
  • (31R)-31-アセトキシフィトクロリンメチル
  • メチル 3-[(21S,22S)-16-[(1R)-1-(アセチルオキシ)エチル]-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-[(1R)-1-(acetyloxy)ethyl]-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)：
  • (31R)-31-Acetoxyphytochlorin methyl ester
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