Spektraris NMR
Carnosol diacetate
Common Name: Carnosol diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O6/c1-12(2)15-10-16-17-11-18-23(5,6)8-7-9-24(18,22(27)30-17)19(16)21(29-14(4)26)20(15)28-13(3)25/h10,12,17-18H,7-9,11H2,1-6H3/t17-,18+,24-/m1/s1
InChIKey: InChIKey=VHVYWBGGSJQQCN-NXMSCROESA-N
Formula: C24H30O6
Molecular Weight: 414.492314
Exact Mass: 414.204239
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) | 29.3 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 40.8 |
| 4 (C) | 34.6 |
| 5 (CH) | 44.7 |
| 6 (CH2) | 28 |
| 7 (CH) | 77 |
| 8 (C) | 138.2 |
| 9 (C) | 129.3 |
| 10 (C) | 48.5 |
| 11 (C) | 139.3 |
| 12 (C) | 141.1 |
| 13 (C) | 141.4 |
| 14 (CH) | 118.5 |
| 15 (CH) | 27.7 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 19.8 |
| 20 (C) | 173.9 |
| 11a (C) | 168.2 |
| 11b (CH3) | 20.5 |
| 12a (C) | 168.1 |
| 12b (CH3) | 20.2 |
