Spektraris NMR
Ballotenic acid
Common Name: Ballotenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,13-14,16H,4,6-12H2,1-3H3,(H,21,22)/t13-,14?,16-,19+,20+/m1/s1
InChIKey: InChIKey=KLTOIXCFCZRIFD-BBOKRCSFSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahmad, V.U., Farooq, U., Hussain, J., Ullah, F., Nawaz, S.A., Choudhary, M.I. Chem Pharm Bull (2004) 52, 441-3
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) | 17.4 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 140.5 |
| 4 (C) | 141.1 |
| 5 (C) | 37.5 |
| 6 (CH2) | 35.7 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 36.1 |
| 9 (C) | 38.7 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 36 |
| 12 (CH2) | 22.6 |
| 13 (CH) | 39.6 |
| 14 (CH2) | 29.6 |
| 15 (CH2) | 66.4 |
| 16 (C) | 172.8 |
| 17 (CH3) | 15.9 |
| 18 (C) | 171 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 18.3 |
