Spektraris NMR
Acanthokoreoic Acid A
Common Name: Acanthokoreoic Acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-5-17(2)9-10-20(24)13(12-17)14(21)11-15-18(3,16(22)23)7-6-8-19(15,20)4/h5,13,15,24H,1,6-12H2,2-4H3,(H,22,23)/t13-,15+,17+,18+,19+,20+/m0/s1
InChIKey: InChIKey=QWUJSFMPRYDMES-OYZDUHAOSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cai, X.F., Shen, G., Dat, N.T., Kang, O.H., Kim, J.A., Lee, Y.M., Lee, J.J., Kim, Y.H. Chem Pharm Bull (2003) 51, 605-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pimaranes; 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) | 36.4 |
| 2 (CH2) | 20.2 |
| 3 (CH2) | 38.7 |
| 4 (C) | 45.1 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 38.8 |
| 7 (C) | 216.3 |
| 8 (CH) | 79.8 |
| 9 (C) | 62.9 |
| 10 (C) | 50.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 48.4 |
| 13 (C) | 42.4 |
| 14 (CH2) | 48.7 |
| 15 (CH) | 151.7 |
| 16 (CH2) | 109.2 |
| 17 (CH3) | 31 |
| 18 (CH3) | 29 |
| 19 (C) | 181.1 |
| 20 (CH3) | 16.6 |
