Spektraris NMR
Carnosic acid
Common Name: Carnosic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O6/c1-13(2)17-12-16-8-9-18-23(5,6)10-7-11-24(18,22(27)28)19(16)21(30-15(4)26)20(17)29-14(3)25/h12-13,18H,7-11H2,1-6H3,(H,27,28)/t18-,24+/m0/s1
InChIKey: InChIKey=RTORIISPKDCKRR-MHECFPHRSA-N
Formula: C24H32O6
Molecular Weight: 416.508195
Exact Mass: 416.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Diez, D., Cubilla, L. Phytochemistry (1998) 48, 1035-8
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) | 34.5 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.1 |
| 4 (C) | 34 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 31.9 |
| 8 (C) | 136.7 |
| 9 (C) | 132.1 |
| 10 (C) | 48 |
| 11 (C) | 138.8 |
| 12 (C) | 140 |
| 13 (C) | 141.5 |
| 14 (CH) | 125.1 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 20.1 |
| 20 (C) | 179.1 |
| 11a (C) | 168.1 |
| 11b (CH3) | 20.5 |
| 12a (C) | 168 |
| 12b (CH3) | 20.3 |
