Spektraris NMR
Salvinorins I
Common Name: Salvinorins I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O7/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/h5,7-8,10,12,14-17,19,22-23,25H,4,6,9H2,1-3H3/t12-,14-,15-,16-,17-,19+,20-,21-/m0/s1
InChIKey: InChIKey=YPCKIDCZBFZYON-KNPIGPTRSA-N
Formula: C21H28O7
Molecular Weight: 392.443629
Exact Mass: 392.183503
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shirota, O., Nagamatsu, K., Sekita, S. J Nat Prod (2006) 69, 1782-6
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 (CH) | 66.5 |
| 2 (CH) | 71.1 |
| 3 (CH) | 138.6 |
| 4 (C) | 142.7 |
| 5 (C) | 39.2 |
| 6 (CH2) | 39.3 |
| 7 (CH2) | 19.4 |
| 8 (CH) | 54.7 |
| 9 (C) | 38.3 |
| 10 (CH) | 56.2 |
| 11 (CH2) | 46.9 |
| 12 (CH) | 67.6 |
| 13 (C) | 128.7 |
| 14 (CH) | 110.1 |
| 15 (CH) | 144.1 |
| 16 (CH) | 140.4 |
| 17 (CH) | 95.5 |
| 18 (C) | 168.5 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 16.5 |
| 18a (CH3) | 51.9 |
