Spektraris NMR
18-Hydroxy-6-oxogrindelic acid
Common Name: 18-Hydroxy-6-oxogrindelic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13-10-14(22)16-17(2,12-21)6-5-7-19(16,4)20(13)9-8-18(3,25-20)11-15(23)24/h10,16,21H,5-9,11-12H2,1-4H3,(H,23,24)/t16-,17-,18?,19-,20+/m0/s1
InChIKey: InChIKey=YKJKZQHYTCDZKN-XIBWBMNSSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
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) | 32.2 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 36.8 |
| 4 (C) | 37.5 |
| 5 (CH) | 54.6 |
| 6 (C) | 202.4 |
| 7 (CH) | 129.1 |
| 8 (C) | 157.5 |
| 9 (C) | 89.7 |
| 10 (C) | 45.4 |
| 11 (CH2) | 28.3 |
| 12 (CH2) | 38.7 |
| 13 (C) | 82.8 |
| 14 (CH2) | 48.8 |
| 15 (C) | 174.5 |
| 16 (CH3) | 27.3 |
| 17 (CH3) | 21.2 |
| 18 (CH2) | 74.2 |
| 19 (CH3) | 31.5 |
| 20 (CH3) | 17.4 |
