| SpectraBase Spectrum ID |
BpzjdHlbfJx |
| Name |
(Z)-N-(3-Hydroxyhexadec-9-enoyl)alanine Methyl Ester |
| Appearance |
Bright yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H37NO4 |
| InChI |
InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(22)16-19(23)21-17(2)20(24)25-3/h9-10,17-18,22H,4-8,11-16H2,1-3H3,(H,21,23)/b10-9-/t17-,18?/m1/s1 |
| InChIKey |
ZPPOXVDQLJMPLN-SKSWGLQUSA-N |
| Instrument Name |
HP 6890-5973 or Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.7b00757 |
| Molecular Weight |
355.519 g/mol |
| Optical Rotation |
[a]D20 = -2.72 +/- 0.10 (c = 0.0104, CH2Cl2) |
| Reported Formula |
C20H38NO4 |
| SMILES |
OC(CC(N[C@@](C(=O)OC)(C)[H])=O)CCCCC\C=C/CCCCCC |
| SPLASH |
splash10-0udl-4900000000-d4cbbdf9e71a56eea578 |
| Source of Spectrum |
G4-81-138-18 |
| Thin-Layer Chromatography |
Rf = 0.32 (RP18, MeCN/H2O, 8:1) |
| Wiley ID |
1867638 |
