Spektraris NMR
4,5-Dehydro-6-oxo-18-norgrindelic acid
Common Name: 4,5-Dehydro-6-oxo-18-norgrindelic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O4/c1-12-6-5-7-18(4)16(12)14(20)10-13(2)19(18)9-8-17(3,23-19)11-15(21)22/h10H,5-9,11H2,1-4H3,(H,21,22)/t17-,18-,19+/m0/s1
InChIKey: InChIKey=XCJZURYTBYWKBH-GBESFXJTSA-N
Formula: C19H26O4
Molecular Weight: 318.408061
Exact Mass: 318.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahmoud, A.A., Ahmed, A.A., Tanaka, T., Iinuma, M. J Nat Prod (2000) 63, 378-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grindelanes; 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) | 30.3 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 34.7 |
| 4 (C) | 149.9 |
| 5 (C) | 132.9 |
| 6 (C) | 190.3 |
| 7 (CH) | 130.4 |
| 8 (C) | 156.5 |
| 9 (C) | 89.3 |
| 10 (C) | 44.3 |
| 11 (CH2) | 28.6 |
| 12 (CH2) | 38.4 |
| 13 (C) | 82.6 |
| 14 (CH2) | 48.4 |
| 15 (C) | 174.7 |
| 16 (CH3) | 27.2 |
| 17 (CH3) | 21.2 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 24.8 |
