Spektraris NMR
8-Epi-Salviarin
Common Name: 8-Epi-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+/m0/s1
InChIKey: InChIKey=OVZMEMYVSDTLOA-IJPWUHMPSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B., Dersch, C.M., Rothman, R.B., Prisinzano, T.E. Tetrahedron (2008) 64, 10041-8
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) | 22.3 |
| 2 (CH) | 129.2 |
| 3 (CH) | 121.1 |
| 4 (CH) | 52.3 |
| 5 (C) | 41.6 |
| 6 (CH2) | 34.9 |
| 7 (CH2) | 18.5 |
| 8 (CH) | 47.5 |
| 9 (C) | 36.1 |
| 10 (CH) | 47.3 |
| 11 (CH2) | 43.3 |
| 12 (CH) | 69.9 |
| 13 (C) | 124.1 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.6 |
| 17 (C) | 173.3 |
| 18 (C) | 75.5 |
| 19 (CH2) | 70.1 |
| 20 (CH3) | 20.4 |
