Spektraris NMR
Spiramadol
Common Name: Spiramadol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-14-11-23-9-6-17(14)10-18(23)24(13-26)8-5-7-22(4,12-25)20(24)19(29-15(2)27)21(23)30-16(3)28/h12-13,17-21H,1,5-11H2,2-4H3/t17-,18+,19-,20+,21+,22-,23+,24+/m0/s1
InChIKey: InChIKey=CFEHSRPMKSOGBC-UZEAQAOXSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hao, X.J., Nie, J.L. Phytochemistry (1998) 48, 1213-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 42.6 |
| 2 (CH2) | 32.3 |
| 3 (CH2) | 35.4 |
| 4 (C) | 53.8 |
| 5 (CH) | 52.4 |
| 6 (CH) | 69.1 |
| 7 (CH) | 80.8 |
| 8 (C) | 39.2 |
| 9 (CH) | 48.9 |
| 10 (C) | 47.8 |
| 11 (CH2) | 25.6 |
| 12 (CH) | 35.9 |
| 13 (CH2) | 22.6 |
| 14 (CH2) | 19.4 |
| 15 (CH2) | 27.3 |
| 16 (C) | 149.9 |
| 17 (CH2) | 106.6 |
| 18 (CH3) | 27.4 |
| 19 (CH) | 206 |
| 20 (CH) | 200 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.3 |
| 7a (C) | 169.9 |
| 7b (CH3) | 20.4 |
