Spektraris NMR
Gaultheric acid
Common Name: Gaultheric acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O4/c1-11(20)13-9-12-5-6-16-18(2,14(12)10-15(13)21)7-4-8-19(16,3)17(22)23/h9-10,16,21H,4-8H2,1-3H3,(H,22,23)/t16-,18-,19-/m1/s1
InChIKey: InChIKey=SAGXNMAORPXGSC-BHIYHBOVSA-N
Formula: C19H24O4
Molecular Weight: 316.39218
Exact Mass: 316.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z., Guo, D., Li, C., Zheng, J., Koike, K., Jia, Z., Nikaido, T. J Nat Prod (1999) 62, 297-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 39 |
| 2 (CH2) | 19.8 |
| 3 (CH2) | 37.2 |
| 4 (C) | 43.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 20.9 |
| 7 (CH2) | 31.1 |
| 8 (C) | 126.2 |
| 9 (C) | 157.9 |
| 10 (C) | 39.4 |
| 11 (CH) | 114.7 |
| 12 (C) | 160.1 |
| 13 (C) | 118.1 |
| 14 (CH) | 131.1 |
| 15 (C) | 203.9 |
| 16 (CH3) | 26.6 |
| 18 (C) | 183.1 |
| 19 (CH3) | 28.7 |
| 20 (CH3) | 22.9 |
