Spektraris NMR
ZINC72320600
Common Name: ZINC72320600
Synonyms: ZINC72320600
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-9-4-5-11(8-10(2)13(16)17)15-12(9)6-7-14(15,3)18-15/h8-9,11-12H,4-7H2,1-3H3,(H,16,17)/b10-8+/t9-,11+,12-,14+,15-/m1/s1
InChIKey: InChIKey=OZFIJBRLEXJLPY-PYCJFAQESA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dharmaratne, H.R., Nanayakkara, N.P., Khan, I.A. Planta Med (2002) 68, 661-2
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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) | 41.3 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 33.2 |
| 4 (C) | 72 |
| 5 (C) | 70.7 |
| 6 (CH) | 34.9 |
| 7 (CH) | 144.4 |
| 8 (CH2) | 24.3 |
| 9 (CH2) | 27.8 |
| 10 (CH) | 33.2 |
| 11 (C) | 128.5 |
| 12 (CH3) | 12.8 |
| 13 (C) | 173.6 |
| 14 (CH3) | 14.3 |
| 15 (CH3) | 15.5 |
