Spektraris NMR
Salvinorin B
Common Name: Salvinorin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O7/c1-20-6-4-12-19(25)28-15(11-5-7-27-10-11)9-21(12,2)17(20)16(23)14(22)8-13(20)18(24)26-3/h5,7,10,12-15,17,22H,4,6,8-9H2,1-3H3/t12-,13-,14-,15-,17-,20-,21-/m0/s1
InChIKey: InChIKey=BLTMVAIOAAGYAR-CEFSSPBYSA-N
Formula: C21H26O7
Molecular Weight: 390.427748
Exact Mass: 390.167853
NMR Solvent: CD3COCD3
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) | 210.4 |
| 2 (CH) | 75.16 |
| 3 (CH2) | 35.74 |
| 4 (CH) | 53.76 |
| 5 (C) | 43.05 |
| 6 (CH2) | 38.76 |
| 7 (CH2) | 19.23 |
| 8 (CH) | 51.42 |
| 9 (C) | 36.26 |
| 10 (CH) | 63.45 |
| 11 (CH2) | 44.08 |
| 12 (CH) | 72.28 |
| 13 (C) | 127.45 |
| 14 (CH) | 109.69 |
| 15 (CH) | 144.67 |
| 16 (CH) | 140.81 |
| 17 (C) | 171.54 |
| 18 (C) | 173.08 |
| 19 (CH3) | 16.76 |
| 20 (CH3) | 15.63 |
| 18a (CH3) | 51.81 |
