Spektraris NMR
Isocarnosol
Common Name: Isocarnosol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-10(2)11-8-12(21)16-15(17(11)22)13-9-14-19(3,4)6-5-7-20(14,16)18(23)24-13/h8,10,13-14,21-22H,5-7,9H2,1-4H3/t13-,14+,20-/m1/s1
InChIKey: InChIKey=MCMQSPNBTJWIEO-LAPQFRIASA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Al Hazimi, H.M.G., Deep, M.S.H., Miana, G.A. Phytochemistry (1984) 23, 919-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 29.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41 |
| 4 (C) | 28.9 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 34.4 |
| 7 (CH) | 77.4 |
| 8 (C) | 131.9 |
| 9 (C) | 122.2 |
| 10 (C) | 48.4 |
| 11 (C) | 142.6 |
| 12 (CH) | 111.8 |
| 13 (C) | 134.5 |
| 14 (C) | 142.8 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 19.7 |
| 18 (CH3) | 22.7 |
| 19 (CH3) | 31.7 |
| 20 (C) | 176.3 |
