Spektraris NMR
ZINC26832404
Common Name: ZINC26832404
Synonyms: ZINC26832404
CAS Registry Number:
InChI: InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3,16)12-6-8-15(4,17)13(12)9-11/h9-10,12-13,16-17H,5-8H2,1-4H3/t12-,13-,14+,15-/m0/s1
InChIKey: InChIKey=IWQURBSTAIRNAE-XQLPTFJDSA-N
Formula: C15H26O2
Molecular Weight: 238.366308
Exact Mass: 238.19328
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, G.W., Ma, X.Q., Su, J.Y., Zhang, K., Kurihara, H., Yao, X.S., Zeng, L.M. Nat Prod Res (2006) 20, 659-64
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) | 50.7 |
| 2 (CH2) | 21.5 |
| 3 (CH2) | 40.4 |
| 4 (C) | 80.2 |
| 5 (CH) | 50.3 |
| 6 (CH) | 121.3 |
| 7 (C) | 149.6 |
| 8 (CH2) | 25.1 |
| 9 (CH2) | 42.6 |
| 10 (C) | 75.2 |
| 11 (CH) | 37.3 |
| 12 (CH3) | 21.4 |
| 13 (CH3) | 21.3 |
| 14 (CH3) | 21.2 |
| 15 (CH3) | 22.5 |
