Spektraris NMR
12-Methoxy-trans-carnosic acid
Common Name: 12-Methoxy-trans-carnosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1
InChIKey: InChIKey=QQNSARJGBPMQDI-YCRPNKLZSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Oluwatuyi, M., Kaatz, G.W., Gibbons, S. Phytochemistry (2004) 65, 3249-54
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) | 36.7 |
| 2 (CH2) | 22.1 |
| 3 (CH2) | 43.6 |
| 4 (C) | 35.6 |
| 5 (CH) | 56.4 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 33.9 |
| 8 (C) | 135.7 |
| 9 (C) | 129.5 |
| 10 (C) | 35.6 |
| 11 (C) | 151.5 |
| 12 (C) | 145.2 |
| 13 (C) | 140.9 |
| 14 (CH) | 118.9 |
| 15 (CH) | 28.1 |
| 16 (CH3) | 24.4 |
| 17 (CH3) | 24.7 |
| 18 (CH3) | 33.9 |
| 19 (CH3) | 22.3 |
| 20 (C) | 180.7 |
| 12a (CH3) | 61.9 |
