Chem
J-GLOBAL ID:200907018632950213   Nikkaji number:J2.529.422J

(1R,5S)-1-Hydroxy-1-(4-methoxyphenyl)-5-(benzyloxy)-6,6,6-trichloro-3-hexanone

(1R,5S)-1-ヒドロキシ-1-(4-メトキシフェニル)-5-(ベンジルオキシ)-6,6,6-トリクロロ-3-ヘキサノン
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: C20H21Cl3O4
Molecular formula furigana: C20-H21-CL3-O4
Molecular weight: 431.730
InChI: InChI=1S/C20H21Cl3O4/c1-26-17-9-7-15(8-10-17)18(25)11-16(24)12-19(20(21,22)23)27-13-14-5-3-2-4-6-14/h2-10,18-19,25H,11-13H2,1H3/t18-,19+/m1/s1
InChI key: YSFBCDNREBIAHO-MOPGFXCFSA-N
SMILES: COc1ccc(cc1)[C@H](O)CC(=O)C[C@H](OCc1ccccc1)C(Cl)(Cl)Cl
Systematic name  (3):
  • (1R,5S)-1-ヒドロキシ-1-(4-メトキシフェニル)-5-(ベンジルオキシ)-6,6,6-トリクロロ-3-ヘキサノン
  • (1R,5S)-5-(ベンジルオキシ)-6,6,6-トリクロロ-1-ヒドロキシ-1-(4-メトキシフェニル)ヘキサン-3-オン
  • (1R,5S)-5-(benzyloxy)-6,6,6-trichloro-1-hydroxy-1-(4-methoxyphenyl)hexan-3-one
Other name (1):
  • (1R,5S)-1-Hydroxy-1-(4-methoxyphenyl)-5-(benzyloxy)-6,6,6-trichloro-3-hexanone
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