Spektraris NMR
WSMKPZGGGQUUQW-ACBLYQCWSA-
Common Name: WSMKPZGGGQUUQW-ACBLYQCWSA-
Synonyms: WSMKPZGGGQUUQW-ACBLYQCWSA-
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-9-6-11-10(4-5-14(11,2)17)15(3,18)7-12(9)19-13(8)16/h9-12,17-18H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14+,15+/m1/s1
InChIKey: InChIKey=WSMKPZGGGQUUQW-ACBLYQCWSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kim, M.R., Kim, C.S., Hwang, K.H., Park, I.Y., Hong, S.S., Son, J.K., Moon, D.C. J Nat Prod (2002) 65, 583-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 52.9 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 39.1 |
| 4 (C) | 81.6 |
| 5 (CH) | 51.3 |
| 6 (CH2) | 29 |
| 7 (CH) | 44.6 |
| 8 (CH) | 84.2 |
| 9 (CH2) | 45.5 |
| 10 (C) | 73.8 |
| 11 (C) | 142.1 |
| 12 (C) | 172.6 |
| 13 (CH2) | 119.7 |
| 14 (CH3) | 30.4 |
| 15 (CH3) | 23.9 |
