Chem
J-GLOBAL ID：200907089181566516   Nikkaji number：J2.257.413B

(2R,3R,E)-2-(Benzylamino)-3-hydroxy-4-octadecenoic acid tert-butyl ester

(2R,3R,E)-2-(ベンジルアミノ)-3-ヒドロキシ-4-オクタデセン酸tert-ブチル
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： C29H49NO3
Molecular formula furigana： C29-H49-N-O3
Molecular weight： 459.715
InChI： InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(31)27(28(32)33-29(2,3)4)30-24-25-21-18-17-19-22-25/h17-23,26-27,30-31H,5-16,24H2,1-4H3/b23-20+/t26-,27-/m1/s1
InChI key： XPPMMKNYQRSILJ-XONXXHEVSA-N
SMILES： CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](NCc1ccccc1)C(=O)OC(C)(C)C
Systematic name  (3)：
  • (2R,3R,E)-2-(ベンジルアミノ)-3-ヒドロキシ-4-オクタデセン酸tert-ブチル
  • tert-ブチル (2R,3R,4E)-2-(ベンジルアミノ)-3-ヒドロキシオクタデカ-4-エノアート
  • tert-butyl (2R,3R,4E)-2-(benzylamino)-3-hydroxyoctadec-4-enoate
Other name (1)：
  • (2R,3R,E)-2-(Benzylamino)-3-hydroxy-4-octadecenoic acid tert-butyl ester
Thsaurus map：
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