Spektraris NMR
12-Deoxy-6-hydroxy-6,7-dehydroroyleanone
Common Name: 12-Deoxy-6-hydroxy-6,7-dehydroroyleanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-11(2)12-9-14(21)16-13(17(12)23)10-15(22)18-19(3,4)7-6-8-20(16,18)5/h9-11,18,22H,6-8H2,1-5H3/t18-,20+/m0/s1
InChIKey: InChIKey=SGUSUNOAUSBGDV-AZUAARDMSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
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) | 36.9 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42.5 |
| 4 (C) | 42.8 |
| 5 (CH) | 62.9 |
| 6 (C) | 144.9 |
| 7 (CH) | 133.9 |
| 8 (C) | 149.8 |
| 9 (C) | 125.5 |
| 10 (C) | 32.7 |
| 11 (C) | 200.9 |
| 12 (CH) | 136.1 |
| 13 (C) | 145.2 |
| 14 (C) | 181.6 |
| 15 (CH) | 27.1 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 21.6 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 33.2 |
| 20 (CH3) | 22 |
