Spektraris NMR
12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Common Name: 12-Deoxy-7,7-dimethoxy-6-ketoroyleanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-12(2)13-11-14(23)15-16(17(13)24)22(26-6,27-7)19(25)18-20(3,4)9-8-10-21(15,18)5/h11-12,18H,8-10H2,1-7H3/t18-,21+/m0/s1
InChIKey: InChIKey=FBIXXXXACRPEFX-GHTZIAJQSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagy, G., Gunther, G., Mathe, I., Blunden, G., Yang, M.H., Crabb, T.A. Phytochemistry (1999) 51, 809-12
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 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 41.6 |
| 4 (C) | 32.4 |
| 5 (CH) | 59.8 |
| 6 (C) | 203.2 |
| 7 (C) | 96.9 |
| 8 (C) | 147.6 |
| 9 (C) | 143.6 |
| 10 (C) | 44.1 |
| 11 (C) | 180.3 |
| 12 (CH) | 132.4 |
| 13 (C) | 148.9 |
| 14 (C) | 181.2 |
| 15 (CH) | 27.5 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 32.2 |
| 20 (CH3) | 21.4 |
| 7a (CH3) | 51.5 |
| 7b (CH3) | 52.5 |
