Spektraris NMR
(16R)-3-Oxophyllocladan-17-al
Common Name: (16R)-3-Oxophyllocladan-17-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-18(2)15-6-9-20-10-13(14(11-20)12-21)4-5-16(20)19(15,3)8-7-17(18)22/h12-16H,4-11H2,1-3H3/t13-,14+,15+,16-,19+,20+/m1/s1
InChIKey: InChIKey=XQZHKXUASNOWRC-YSBNHYEQSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Liu, G., Muller, R., Ruedi, P. Helv Chim Acta (2003) 86, 420-38
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phyllocladanes; 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) | 38.4 |
| 2 (CH2) | 34 |
| 3 (C) | 217.5 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 20 |
| 7 (CH2) | 39.8 |
| 8 (C) | 44.5 |
| 9 (CH) | 55.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 32 |
| 13 (CH) | 36.2 |
| 14 (CH2) | 47.9 |
| 15 (CH2) | 32 |
| 16 (CH) | 56 |
| 17 (CH) | 203 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 21.5 |
| 20 (CH3) | 15 |
