Spektraris NMR
(3E,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one
Common Name: (3E,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one
Synonyms: (3E,4R,5S)-3-(11-Dodecyne-1-ylidene)-4-hydroxy-5-methyltetrahydrofuran-2-one
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-3-4-5-6-7-8-9-10-11-12-13-15-16(18)14(2)20-17(15)19/h1,13-14,16,18H,4-12H2,2H3/b15-13+/t14-,16-/m0/s1
InChIKey: InChIKey=ZOHSBTYPSYCTIC-MBQXWXBHSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, W., Zhu, C., Xu, W., Fan, X., Yang, Y., Li, Y., Chen, X., Wang, W., Shi, J. J Nat Prod (2009) 72, 2145-52
Species:
Notes: Family : 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) | 169.4 |
| 2 (C) | 129.3 |
| 3 (CH) | 82.5 |
| 4 (CH) | 72.2 |
| 2a (CH) | 148.6 |
| 2b (CH2) | 29.7 |
| 2c (CH2) | 29.3 |
| 2d (CH2) | 29.3 |
| 2e (CH2) | 29.3 |
| 2f (CH2) | 29.3 |
| 2g (CH2) | 29.3 |
| 2h (CH2) | 29.3 |
| 2i (CH2) | 29.3 |
| 2j (CH2) | 18.4 |
| 2k (C) | 84.7 |
| 2l (CH) | 68.1 |
| 4a (CH3) | 19.7 |
