Spektraris NMR
N-[(E)-1-(Hydroxymethyl)-2,4-dihydroxy-8-hexacosenyl]pentadecanamide
![N-[(E)-1-(Hydroxymethyl)-2,4-dihydroxy-8-hexacosenyl]pentadecanamide](/nmr/static/nmr/svg/10929.svg)
Common Name: N-[(E)-1-(Hydroxymethyl)-2,4-dihydroxy-8-hexacosenyl]pentadecanamide
Synonyms: N-[(E)-1-(Hydroxymethyl)-2,4-dihydroxy-8-hexacosenyl]pentadecanamide
CAS Registry Number:
InChI: InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+
InChIKey: InChIKey=GHLJTECRSRHVNW-ORIPQNMZSA-N
Formula: C42H83N1O4
Molecular Weight: 666.114353
Exact Mass: 665.63221
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mukhtar N., Iqbal K., Anis I., Malik A. Phytochemistry (2002) 61, 1005-8
Species:
Notes: Family : Aliphatics; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 62 |
| 2 (CH) | 53 |
| 3 (CH) | 76.8 |
| 4 (CH2) | 35.7 |
| 5 (CH) | 73 |
| 6 (CH2) | 33.2 |
| 7 (CH2) | 33 |
| 8 (CH2) | 34.1 |
| 9 (CH) | 130.8 |
| 10 (CH) | 130.6 |
| 11 (CH2) | 33.8 |
| 12 (CH2) | 33 |
| 13 (CH2) | 32.9 |
| 14 (CH2) | 30.5 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 29.9 |
| 17 (CH2) | 29.9 |
| 18 (CH2) | 29.9 |
| 19 (CH2) | 29.9 |
| 20 (CH2) | 29.9 |
| 21 (CH2) | 29.9 |
| 22 (CH2) | 29.9 |
| 23 (CH2) | 29.9 |
| 24 (CH2) | 29.9 |
| 25 (CH2) | 29.5 |
| 26 (CH2) | 17.6 |
| 27 (CH3) | 14.2 |
| 1' (C) | 177 |
| 2' (CH2) | 32.1 |
| 3' (CH2) | 30.2 |
| 4' (CH2) | 29.9 |
| 5' (CH2) | 29.9 |
| 6' (CH2) | 29.9 |
| 7' (CH2) | 29.9 |
| 8' (CH2) | 29.9 |
| 9' (CH2) | 29.9 |
| 10' (CH2) | 29.9 |
| 11' (CH2) | 29.9 |
| 12' (CH2) | 29.9 |
| 13' (CH2) | 22.9 |
| 14' (CH2) | 19.6 |
| 15' (CH3) | 13.8 |
