Spektraris NMR
Enone dimethyl ester
Common Name: Enone dimethyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O5/c1-13(19(24)26-4)7-6-10-21(3)16-12-22(18(23)11-14(16)2)15(20(25)27-5)8-9-17(21)22/h11,13,15-17H,6-10,12H2,1-5H3/t13-,15-,16-,17+,21+,22-/m1/s1
InChIKey: InChIKey=HJMHFGUTZWDOBU-JLWRCLLRSA-N
Formula: C22H32O5
Molecular Weight: 376.487318
Exact Mass: 376.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Syah, Y.M., Ghisalberti, E.L. Phytochemistry (1996) 41, 859-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylcedranes; 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) | 66.9 |
| 2 (CH) | 43.2 |
| 3 (CH2) | 30.7 |
| 4 (CH2) | 24.6 |
| 5 (CH) | 57.7 |
| 6 (C) | 45.9 |
| 7 (CH) | 52.6 |
| 8 (C) | 167.7 |
| 9 (CH) | 124.2 |
| 10 (C) | 200.7 |
| 11 (CH2) | 39.3 |
| 12 (CH2) | 37.1 |
| 13 (CH2) | 22.9 |
| 14 (CH2) | 34.5 |
| 15 (CH) | 39.4 |
| 16 (C) | 174.3 |
| 17 (CH3) | 17.3 |
| 18 (CH3) | 24.6 |
| 19 (CH3) | 25.5 |
| 20 (C) | 177 |
| 16a (CH3) | 51.4 |
| 20a (CH3) | 51.5 |
