SpectraBase Spectrum ID |
bFa6pbCeNr |
Name |
4-{[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-2,4,6,8-nonatetraenoyl]amino}phenyl-2-oxobutanoate |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
475.272258671 u |
Formula |
C30H37NO4 |
InChI |
InChI=1S/C30H37NO4/c1-7-27(32)29(34)35-25-16-14-24(15-17-25)31-28(33)20-22(3)11-8-10-21(2)13-18-26-23(4)12-9-19-30(26,5)6/h8,10-11,13-18,20H,7,9,12,19H2,1-6H3,(H,31,33)/b11-8+,18-13+,21-10+,22-20+ |
InChIKey |
KLRDPKJIBCZRBK-FSDIUQKZSA-N |
Molecular Weight |
475.629 g/mol |
SMILES |
C1(\C=C\C(=C\C=C\C(=C\C(NC2=CC=C(OC(C(=O)CC)=O)C=C2)=O)C)C)=C(CCCC1(C)C)C |