Spektraris NMR
Salvimadrensinol
Common Name: Salvimadrensinol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-12-9-14(21)10-16-19(2,6-3-13-5-8-24-17(13)22)15-4-7-20(12,16)11-25-18(15)23/h5,9,14-16,21H,3-4,6-8,10-11H2,1-2H3/t14-,15-,16+,19-,20+/m0/s1
InChIKey: InChIKey=LGRJCFMFODXTPJ-RQOBALISSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguezhahn, L., Alvarado, G., Cardenas, J., Esquivel, B., Gavino, R. Phytochemistry (1994) 35, 447-50
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) | 28.5 |
| 2 (CH) | 63.1 |
| 3 (CH) | 127.2 |
| 4 (C) | 140.2 |
| 5 (C) | 41 |
| 6 (CH2) | 28 |
| 7 (CH2) | 19.5 |
| 8 (CH) | 50.2 |
| 9 (C) | 35.6 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 38.1 |
| 12 (CH2) | 20.2 |
| 13 (C) | 134 |
| 14 (CH) | 144 |
| 15 (CH2) | 70.2 |
| 16 (C) | 174.2 |
| 17 (C) | 175.3 |
| 18 (CH3) | 18 |
| 19 (CH2) | 69 |
| 20 (CH3) | 19.9 |
