Spektraris NMR
Ballotenic acid A
Common Name: Ballotenic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-11-16-20(3)14(18(22)24-16)5-4-6-15(20)19(12,2)9-7-13-8-10-23-17(13)21/h5,12-13,15-16H,4,6-11H2,1-3H3/t12-,13?,15-,16-,19+,20+/m1/s1
InChIKey: InChIKey=AOIVVVYELQRCFE-UIQGRPNSSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 17.8 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 134.2 |
| 4 (C) | 140.1 |
| 5 (C) | 40.1 |
| 6 (CH) | 84.5 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 39.3 |
| 9 (C) | 42.5 |
| 10 (CH) | 45.7 |
| 11 (CH2) | 35.9 |
| 12 (CH2) | 23.6 |
| 13 (CH) | 41.2 |
| 14 (CH2) | 32.3 |
| 15 (CH2) | 70.1 |
| 16 (C) | 173.2 |
| 17 (CH3) | 16.5 |
| 18 (C) | 172.7 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 20.6 |
