Chem
J-GLOBAL ID:200907002202788460   Nikkaji number:J2.380.237F

(1R,4R,5S)-3-(4-Methoxybenzyl)-4-[4-(4-methoxybenzyloxy)butyl]-5-hydroxy-2-oxa-3-azabicyclo[3.3.1]nona-7-ene-6-one

(1R,4R,5S)-3-(4-メトキシベンジル)-4-[4-(4-メトキシベンジルオキシ)ブチル]-5-ヒドロキシ-2-オキサ-3-アザビシクロ[3.3.1]ノナ-7-エン-6-オン
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: C27H33NO6
Molecular formula furigana: C27-H33-N-O6
Molecular weight: 467.562
InChI: InChI=1S/C27H33NO6/c1-31-22-10-6-20(7-11-22)18-28-25(27(30)17-24(34-28)14-15-26(27)29)5-3-4-16-33-19-21-8-12-23(32-2)13-9-21/h6-15,24-25,30H,3-5,16-19H2,1-2H3/t24-,25+,27-/m0/s1
InChI key: HAXUODBTLKMGFA-WEWMWRJBSA-N
SMILES: COc1ccc(COCCCC[C@H]2N(Cc3ccc(OC)cc3)O[C@@H]3C[C@@]2(O)C(=O)C=C3)cc1
Systematic name  (3):
  • (1R,4R,5S)-3-(4-メトキシベンジル)-4-[4-(4-メトキシベンジルオキシ)ブチル]-5-ヒドロキシ-2-オキサ-3-アザビシクロ[3.3.1]ノナ-7-エン-6-オン
  • (1R,4R,5S)-5-ヒドロキシ-4-{4-[(4-メトキシフェニル)メトキシ]ブチル}-3-[(4-メトキシフェニル)メチル]-2-オキサ-3-アザビシクロ[3.3.1]ノナ-7-エン-6-オン
  • (1R,4R,5S)-5-hydroxy-4-{4-[(4-methoxyphenyl)methoxy]butyl}-3-[(4-methoxyphenyl)methyl]-2-oxa-3-azabicyclo[3.3.1]non-7-en-6-one
Other name (1):
  • (1R,4R,5S)-3-(4-Methoxybenzyl)-4-[4-(4-methoxybenzyloxy)butyl]-5-hydroxy-2-oxa-3-azabicyclo[3.3.1]nona-7-ene-6-one
Thsaurus map:

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