Spektraris NMR
(16R)-3-Oxophyllocladan-17-oic Acid
Common Name: (16R)-3-Oxophyllocladan-17-oic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18(2)14-6-9-20-10-12(13(11-20)17(22)23)4-5-15(20)19(14,3)8-7-16(18)21/h12-15H,4-11H2,1-3H3,(H,22,23)/t12-,13-,14+,15-,19+,20+/m1/s1
InChIKey: InChIKey=DFXNQVOKZMHGJK-VTNRSNEFSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
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) | 34.1 |
| 3 (C) | 217.7 |
| 4 (C) | 47.4 |
| 5 (CH) | 55.5 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 39.8 |
| 8 (C) | 44.8 |
| 9 (CH) | 55.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 48.4 |
| 15 (CH2) | 36.6 |
| 16 (CH) | 47.6 |
| 17 (C) | 181.7 |
| 18 (CH3) | 26.8 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 15 |
