Spektraris NMR
Salviarin
Common Name: Salviarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-19-9-15(12-6-8-23-10-12)25-18(22)13(19)5-7-20-11-24-17(21)14(20)3-2-4-16(19)20/h2-3,6,8,10,13-16H,4-5,7,9,11H2,1H3/t13-,14+,15-,16-,19+,20-/m1/s1
InChIKey: InChIKey=OVZMEMYVSDTLOA-XNCJAFBWSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, D.P., Kawazoe, K., Takaishi, Y. Phytochemistry (1997) 46, 781-4
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 (CH2) | 18.9 |
| 2 (CH) | 128.8 |
| 3 (CH) | 121.2 |
| 4 (CH) | 52.1 |
| 5 (C) | 41.4 |
| 6 (CH2) | 32.4 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 49 |
| 9 (C) | 35.1 |
| 10 (CH) | 38.2 |
| 11 (CH2) | 40.8 |
| 12 (CH) | 70.5 |
| 13 (C) | 124.7 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.8 |
| 16 (CH) | 139.6 |
| 17 (C) | 175.4 |
| 18 (C) | 171.4 |
| 19 (CH2) | 70 |
| 20 (CH3) | 23.7 |
