Spektraris NMR
Ballodiolic acid A
Common Name: Ballodiolic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-11-17-20(3)15(18(23)24-17)5-4-6-16(20)19(13,2)9-7-14(12-22)8-10-21/h5,13-14,16-17,21-22H,4,6-12H2,1-3H3/t13-,14?,16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=KERNNDXVCSCDLI-IKCRSCLWSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Farooq, U., Khan, A., Ahmad, V.U., Khan, S.S., Farooq, R., Pervez, A., Shah, M.M. Magn Reson Chem (2007) 45, 766-9
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) | 18.5 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 132.6 |
| 4 (C) | 138.9 |
| 5 (C) | 41.1 |
| 6 (CH) | 85.3 |
| 7 (CH2) | 32.7 |
| 8 (CH) | 37.5 |
| 9 (C) | 43.2 |
| 10 (CH) | 46.1 |
| 11 (CH2) | 37.3 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 40.1 |
| 14 (CH2) | 30.5 |
| 15 (CH2) | 68.8 |
| 16 (CH2) | 63.6 |
| 17 (CH3) | 15.5 |
| 18 (C) | 171.3 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 19.1 |
