Spektraris NMR
(-)-17-Hydroxy-neo-clerod-3-en-15-oic-acid
Common Name: (-)-17-Hydroxy-neo-clerod-3-en-15-oic-acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(12-18(22)23)8-10-20(4)16(13-21)9-11-19(3)15(2)6-5-7-17(19)20/h6,14,16-17,21H,5,7-13H2,1-4H3,(H,22,23)/t14?,16-,17-,19-,20-/m0/s1
InChIKey: InChIKey=WJKNXKAPAFRTHJ-RWLCCHIUSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Seguracorrea, R., Ortega, A., Calderon, J.S., Fronczek, F.R. Phytochemistry (1994) 35, 721-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.9 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 121.5 |
| 4 (C) | 145.2 |
| 5 (C) | 38.9 |
| 6 (CH2) | 36.3 |
| 7 (CH2) | 23.1 |
| 8 (CH) | 47.8 |
| 9 (C) | 39.2 |
| 10 (CH) | 45.4 |
| 11 (CH2) | 30.6 |
| 12 (CH2) | 37.7 |
| 13 (CH) | 32.1 |
| 14 (CH2) | 42.6 |
| 15 (C) | 177 |
| 16 (CH3) | 19.9 |
| 17 (CH2) | 64.2 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 20.4 |
| 20 (CH3) | 20.2 |
