Spektraris NMR
Salvinorin A
Common Name: Salvinorin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
InChIKey: InChIKey=OBSYBRPAKCASQB-AGQYDFLVSA-N
Formula: C23H28O8
Molecular Weight: 432.464506
Exact Mass: 432.178418
NMR Solvent: C+A
MHz:
Calibration:
NMR references: 13C - Giner, J.L., Kiemle, D.J., Kutrzeba, L., Zjawiony, J. Magn Reson Chem (2007) 45, 351-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (C) | 202.77 |
| 2 (CH) | 75.43 |
| 3 (CH2) | 31.13 |
| 4 (CH) | 53.3 |
| 5 (C) | 42.21 |
| 6 (CH2) | 38.17 |
| 7 (CH2) | 18.5 |
| 8 (CH) | 51.04 |
| 9 (C) | 35.68 |
| 10 (CH) | 63.3 |
| 11 (CH2) | 43.34 |
| 12 (CH) | 72 |
| 13 (C) | 126.15 |
| 14 (CH) | 108.9 |
| 15 (CH) | 143.9 |
| 16 (CH) | 140.01 |
| 17 (C) | 171.36 |
| 18 (C) | 172.02 |
| 19 (CH3) | 16.42 |
| 20 (CH3) | 15.24 |
| 2a (C) | 169.62 |
| 2b (CH3) | 20.44 |
| 18a (CH3) | 51.73 |
