Spektraris NMR
Linearol
Common Name: Linearol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-18(24)21(4,12-26-14(2)23)17(20)9-19(22)25/h15-19,24-25H,1,5-12H2,2-4H3/t15-,16+,17+,18-,19+,20+,21-,22+/m1/s1
InChIKey: InChIKey=FOSUPIBQARPELG-AXAOMFGGSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 38.2 |
| 2 (CH2) | 26 |
| 3 (CH) | 71.5 |
| 4 (C) | 41.2 |
| 5 (CH) | 37.9 |
| 6 (CH2) | 26.9 |
| 7 (CH) | 76.3 |
| 8 (C) | 47.6 |
| 9 (CH) | 49.9 |
| 10 (C) | 38.4 |
| 11 (CH2) | 17.5 |
| 12 (CH2) | 33.2 |
| 13 (CH) | 43.4 |
| 14 (CH2) | 38 |
| 15 (CH2) | 44.7 |
| 16 (C) | 154.9 |
| 17 (CH2) | 103 |
| 18 (CH2) | 65.8 |
| 19 (CH3) | 11.9 |
| 20 (CH3) | 17.6 |
| 18a (C) | 172.2 |
| 18b (CH3) | 20.5 |
