Spektraris NMR
3-Deoxypseudoanisatin
Common Name: 3-Deoxypseudoanisatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O5/c1-9-4-5-15(19)12(2)8-20-11(17)7-14(9,15)6-10(16)13(12,3)18/h9,18-19H,4-8H2,1-3H3/t9-,12+,13+,14-,15+/m1/s1
InChIKey: InChIKey=CZGRONHLKQQJIY-CGYQILHKSA-N
Formula: C15H22O5
Molecular Weight: 282.33276
Exact Mass: 282.146724
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Huang, J.M., Yang, C.S., Zhao, R., Takahashi, H., Fukuyama, Y. Chem Pharm Bull (2004) 52, 104-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 41.6 |
| 2 (CH2) | 28.7 |
| 3 (CH2) | 30.3 |
| 4 (C) | 88.2 |
| 5 (C) | 48.5 |
| 6 (C) | 79.2 |
| 7 (C) | 208.2 |
| 8 (CH2) | 36.4 |
| 9 (C) | 50.1 |
| 10 (CH2) | 43.2 |
| 11 (C) | 176.4 |
| 12 (CH3) | 17.7 |
| 13 (CH3) | 14.2 |
| 14 (CH2) | 70.9 |
| 15 (CH3) | 13.9 |
