Spektraris NMR
(E)-3-(hexadec-7(Z)-enyl)-4-hydroxy-5-methoxy-5-methylfuran-2(5H)-one
Common Name: (E)-3-(hexadec-7(Z)-enyl)-4-hydroxy-5-methoxy-5-methylfuran-2(5H)-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(23)22(2,25-3)26-21(19)24/h11-12,23H,4-10,13-18H2,1-3H3/b12-11-/t22-/m1/s1
InChIKey: InChIKey=OIEZJKMVJYGTMT-SSSWZJSRSA-N
Formula: C22H38O4
Molecular Weight: 366.535558
Exact Mass: 366.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Allouche, N., Apel, C., Martin, M.T., Dumontet, V., Gueritte, F., Litaudon, M. Phytochemistry (2009) 70, 546-53
Species:
Notes: Family : Miscellanea, Type : Butanolides; 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 (C) | 171.6 |
| 2 (C) | 104.9 |
| 3 (C) | 168.5 |
| 4 (C) | 103.1 |
| 5 (CH3) | 22.5 |
| 6 (CH3) | 50.8 |
| 2a (CH2) | 21.2 |
| 2b (CH2) | 27.6 |
| 2c (CH2) | 29 |
| 2d (CH2) | 29 |
| 2e (CH2) | 29.7 |
| 2f (CH2) | 27.2 |
| 2g (CH) | 129.6 |
| 2h (CH) | 130 |
| 2i (CH2) | 27.2 |
| 2j (CH2) | 29 |
| 2k (CH2) | 29 |
| 2l (CH2) | 29 |
| 2m (CH2) | 29.7 |
| 2n (CH2) | 31.8 |
| 2o (CH2) | 22.6 |
| 2p (CH3) | 14 |
