Spektraris NMR
7,8-seco-para-ferruginone
Common Name: 7,8-seco-para-ferruginone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-13(2)14-11-17(23)15(12-16(14)22)20(5)9-6-8-19(3,4)18(20)7-10-21/h10-13,18H,6-9H2,1-5H3/t18-,20+/m0/s1
InChIKey: InChIKey=JCLGBJLXHLKJPT-AZUAARDMSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, X., Ding, J., Ye, Y.M., Zhang, J.S. J Nat Prod (2002) 65, 1016-20
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) | 18.7 |
| 3 (CH2) | 40.3 |
| 4 (C) | 34 |
| 5 (CH) | 42.1 |
| 6 (CH2) | 42.7 |
| 7 (CH) | 202.2 |
| 8 (C) | 188.2 |
| 9 (C) | 154.1 |
| 10 (C) | 43.5 |
| 11 (CH) | 135 |
| 12 (C) | 187.7 |
| 13 (C) | 152.8 |
| 14 (CH) | 133 |
| 15 (CH) | 26.2 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 23 |
| 19 (CH3) | 33.5 |
| 20 (CH3) | 20.6 |
