Spektraris NMR
Hardwickiic acid
Common Name: Hardwickiic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-14-7-10-20(3)16(18(21)22)5-4-6-17(20)19(14,2)11-8-15-9-12-23-13-15/h5,9,12-14,17H,4,6-8,10-11H2,1-3H3,(H,21,22)/t14-,17-,19+,20+/m1/s1
InChIKey: InChIKey=HHWOKJDCJVESIF-JBCDFXQESA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6
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) | 35.8 |
| 2 (CH2) | 18.2 |
| 3 (CH) | 140.3 |
| 4 (C) | 141.5 |
| 5 (C) | 37.6 |
| 6 (CH2) | 38.7 |
| 7 (CH2) | 27.3 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.8 |
| 10 (CH) | 46.7 |
| 11 (CH2) | 17.5 |
| 12 (CH2) | 27.5 |
| 13 (C) | 125.6 |
| 14 (CH) | 111 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 15.9 |
| 18 (C) | 172.6 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 18.3 |
