Spektraris NMR
Dunniana acid A
Common Name: Dunniana acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-12(10-17(21)22)6-8-19(4)13(2)7-9-20(5)14(3)15(18(23)24)11-16(19)20/h12-13,16H,6-11H2,1-5H3,(H,21,22)(H,23,24)/t12?,13-,16-,19+,20+/m1/s1
InChIKey: InChIKey=BXKYVIXFZNEZFP-JZQROIDNSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, H.P., Shen, Y.M., Hong, X., Zhao, Y.B., Zhou, J., Hao, X.J. J Nat Prod (2002) 65, 392-4
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) | 29.3 |
| 2 (C) | 125.9 |
| 3 (C) | 172.6 |
| 4 (C) | 169 |
| 5 (C) | 50.6 |
| 6 (CH2) | 34.4 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 37.7 |
| 9 (C) | 36.8 |
| 10 (CH) | 54.1 |
| 11 (CH2) | 37.3 |
| 12 (CH2) | 29.4 |
| 13 (CH) | 30.8 |
| 14 (CH2) | 41.4 |
| 15 (C) | 179.7 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 15 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 18 |
