Chem
J-GLOBAL ID：200907096153642653   Nikkaji number：J2.098.863K

(2S,3R,4E,8E)-2-(14-Methylheptadecanoylamino)-4,8-octadecadiene-1,3-diol

(2S,3R,4E,8E)-2-(14-メチルヘプタデカノイルアミノ)-4,8-オクタデカジエン-1,3-ジオール
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： C36H69NO3
Molecular formula furigana： C36-H69-N-O3
Molecular weight： 563.952
InChI： InChI=1S/C36H69NO3/c1-4-6-7-8-9-10-11-12-13-17-20-23-26-30-35(39)34(32-38)37-36(40)31-27-24-21-18-15-14-16-19-22-25-29-33(3)28-5-2/h13,17,26,30,33-35,38-39H,4-12,14-16,18-25,27-29,31-32H2,1-3H3,(H,37,40)/b17-13+,30-26+/t33?,34-,35+/m0/s1
InChI key： OTUFJUQBJVHTHX-NCRQSHJFSA-N
SMILES： CCCCCCCCC/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC(C)CCC
Systematic name  (3)：
  • (2S,3R,4E,8E)-2-(14-メチルヘプタデカノイルアミノ)-4,8-オクタデカジエン-1,3-ジオール
  • N-[(2S,3R,4E,8E)-1,3-ジヒドロキシオクタデカ-4,8-ジエン-2-イル]-14-メチルヘプタデカンアミド
  • N-[(2S,3R,4E,8E)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]-14-methylheptadecanamide
Other name (1)：
  • (2S,3R,4E,8E)-2-(14-Methylheptadecanoylamino)-4,8-octadecadiene-1,3-diol
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