Spektraris NMR
Petasol
Common Name: Petasol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-9(2)12-8-15(4)10(3)13(16)6-5-11(15)7-14(12)17/h7,10,12-13,16H,1,5-6,8H2,2-4H3/t10-,12-,13+,15+/m0/s1
InChIKey: InChIKey=AJFPOVBARCSOLH-MUYACECFSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sugama, K., Hayashi, K., Nakagawa, T., Mitsuhashi, H., Yoshida, N. Phytochemistry (1983) 22, 1619-22
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 30.8 |
| 2 (CH2) | 35.1 |
| 3 (CH) | 70.9 |
| 4 (CH) | 50.2 |
| 5 (C) | 39.7 |
| 6 (CH2) | 41.6 |
| 7 (CH) | 50.2 |
| 8 (C) | 198.2 |
| 9 (CH) | 124.1 |
| 10 (C) | 167.3 |
| 11 (C) | 143.1 |
| 12 (CH3) | 20 |
| 13 (CH2) | 114.1 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 10.4 |
