Spektraris NMR
CHEMBL463361
Common Name: CHEMBL463361
Synonyms: CHEMBL463361
CAS Registry Number:
InChI: InChI=1S/C12H18O4/c1-11(2,15)5-4-8-6-9(13)10(14)7-12(8,3)16/h4-6,10,14-16H,7H2,1-3H3/b5-4+/t10-,12+/m1/s1
InChIKey: InChIKey=CGPARFHPJHOJGS-PRANIUCASA-N
Formula: C12H18O4
Molecular Weight: 226.269384
Exact Mass: 226.120509
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Aziz-Ur-Rehman, A.U., Malik, A., Riaz, N., Nawaz, H.R., Ahmad, H., Nawaz, S.A., Choudhary, M.I. J Nat Prod (2004) 67, 1450-4
Species:
Notes: Family : Terpenoids, Type : 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) | 46.5 |
| 2 (CH) | 66.9 |
| 3 (C) | 202.9 |
| 4 (CH) | 123 |
| 5 (C) | 161.1 |
| 6 (C) | 74.1 |
| 7 (CH) | 124.6 |
| 8 (CH) | 148 |
| 9 (C) | 71.5 |
| 10 (CH3) | 29.6 |
| 11 (CH3) | 29.6 |
| 12 (CH3) | 24 |
