Spektraris NMR
SalvinorinE
Common Name: SalvinorinE
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/h6,8-9,11,14,16-19,25H,5,7,10H2,1-4H3/t14-,16-,17-,18-,19-,22-,23-/m0/s1
InChIKey: InChIKey=IGQMBQQLKAUYLJ-XMTZKCFKSA-N
Formula: C23H28O8
Molecular Weight: 432.464506
Exact Mass: 432.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munro, T.A., Rizzacasa, M.A. J Nat Prod (2000) 66, 703-5
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) | 64.3 |
| 2 (CH) | 72.3 |
| 3 (CH) | 131.5 |
| 4 (C) | 143.4 |
| 5 (C) | 37.8 |
| 6 (CH2) | 37 |
| 7 (CH2) | 18.4 |
| 8 (CH) | 51.7 |
| 9 (C) | 37.5 |
| 10 (CH) | 54 |
| 11 (CH2) | 44.4 |
| 12 (CH) | 71.7 |
| 13 (C) | 125.8 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.3 |
| 17 (C) | 169.8 |
| 18 (C) | 166 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 16.2 |
| 2a (CH2) | 171.8 |
| 2b (CH3) | 21 |
| 18a (CH3) | 51.8 |
