Spektraris NMR
Epoxylinearol
Common Name: Epoxylinearol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-13(23)26-11-20(3)16-8-18(25)21-9-14(22(10-21)12-27-22)4-5-15(21)19(16,2)7-6-17(20)24/h14-18,24-25H,4-12H2,1-3H3/t14-,15+,16+,17-,18+,19+,20-,21-,22+/m1/s1
InChIKey: InChIKey=HBRSOLRXBSNAQM-TVYOUMKRSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Piozzi, F., Bondi, M.L., Simmonds, M.S. Phytochemistry (2001) 58, 463-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.3 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 72.1 |
| 4 (C) | 41.8 |
| 5 (CH) | 38.1 |
| 6 (CH2) | 27.4 |
| 7 (CH) | 76.6 |
| 8 (C) | 49 |
| 9 (CH) | 50.1 |
| 10 (C) | 38.8 |
| 11 (CH2) | 18.9 |
| 12 (CH2) | 29.3 |
| 13 (CH) | 42.4 |
| 14 (CH2) | 37.2 |
| 15 (CH2) | 45 |
| 16 (C) | 66.2 |
| 17 (CH2) | 50.3 |
| 18 (CH2) | 65.9 |
| 19 (CH3) | 11.9 |
| 20 (CH3) | 18.2 |
| 18a (C) | 171.8 |
| 18b (CH3) | 21.1 |
