Spektraris NMR
3b-hydroxygrindelic acid
Common Name: 3b-hydroxygrindelic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-6-7-14-17(2,3)15(21)8-9-19(14,5)20(13)11-10-18(4,24-20)12-16(22)23/h6,14-15,21H,7-12H2,1-5H3,(H,22,23)/t14-,15-,18?,19-,20+/m0/s1
InChIKey: InChIKey=NRFUGXICRLTIFH-BUYPBNIOSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmed, A.A., Mahmoud, A.A., Ahmed, U.M., El-Bassuony, A.A., Abd El-Razk, M.H., Pare, P.W., Karchesy, J. J Nat Prod (2001) 64, 1365-7
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) | 30.9 |
| 2 (CH2) | 27 |
| 3 (CH) | 78.5 |
| 4 (C) | 38.8 |
| 5 (CH) | 42.4 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 128.8 |
| 8 (C) | 133 |
| 9 (C) | 92.4 |
| 10 (C) | 40.6 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 39.5 |
| 13 (C) | 81.2 |
| 14 (CH2) | 47.4 |
| 15 (C) | 171.6 |
| 16 (CH3) | 26.9 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 27.8 |
| 19 (CH3) | 15.1 |
| 20 (CH3) | 16.9 |
