Spektraris NMR
Yaretol
Common Name: Yaretol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H32O3/c1-12(2)13-5-6-14-16(13,3)7-9-18-10-8-17(4,22-18)15(11-20)19(14,18)21/h12-15,20-21H,5-11H2,1-4H3/t13-,14?,15+,16-,17+,18+,19+/m0/s1
InChIKey: InChIKey=AYLBIXSXMOMHSY-FAVDZGDVSA-N
Formula: C19H32O3
Molecular Weight: 308.456301
Exact Mass: 308.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Loyola, L.A., Borquez, J., Morales, G., San-Martin, A., Manriquez, V., Boys, D., Darias, J. J Nat Prod (2002) 65, 1678-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 18.8 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 58.3 |
| 4 (CH) | 30.4 |
| 5 (C) | 42 |
| 6 (CH2) | 37 |
| 7 (CH2) | 27.1 |
| 8 (C) | 86.2 |
| 9 (C) | 85.7 |
| 10 (CH) | 57.4 |
| 11 (CH2) | 60.3 |
| 12 (CH) | 58.3 |
| 13 (C) | 79.7 |
| 14 (CH2) | 31 |
| 15 (CH2) | 32.5 |
| 16 (CH3) | 22.5 |
| 18 (CH3) | 22.3 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 12.3 |
