Spektraris NMR
Carnosic acid diacetate
Common Name: Carnosic acid diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O6/c1-14(2)18-13-17-9-10-19-24(5,6)11-8-12-25(19,23(28)29-7)20(17)22(31-16(4)27)21(18)30-15(3)26/h13-14,19H,8-12H2,1-7H3/t19-,25+/m0/s1
InChIKey: InChIKey=OYZXDVPSGCKVOQ-UQBPGWFLSA-N
Formula: C25H34O6
Molecular Weight: 430.534813
Exact Mass: 430.235539
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) | 34.7 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 41.1 |
| 4 (C) | 33.9 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 31.6 |
| 8 (C) | 136.7 |
| 9 (C) | 131.9 |
| 10 (C) | 47.6 |
| 11 (C) | 138.8 |
| 12 (C) | 139.7 |
| 13 (C) | 141.4 |
| 14 (CH) | 125 |
| 15 (CH) | 27.4 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 32.4 |
| 19 (CH3) | 19.6 |
| 20 (C) | 175.1 |
| 11a (C) | 168.4 |
| 11b (CH3) | 20.6 |
| 12a (C) | 168.1 |
| 12b (CH3) | 20.3 |
| 20a (CH3) | 51.6 |
