Spektraris NMR
Dipteryxic acid
Common Name: Dipteryxic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-11-12-5-6-15-18(2,7-4-8-19(15,3)17(22)23)14(12)10-20(24)13(11)9-16(21)25-20/h9,11-12,14-15,24H,4-8,10H2,1-3H3,(H,22,23)/t11-,12+,14+,15-,18-,19-,20-/m1/s1
InChIKey: InChIKey=YWQJKAJFLCNHPB-LXTJJRHQSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jang, D.S., Park, E.J., Hawthorne, M.E., Vigo, J.S., Graham, J.G., Cabieses, F., Santarsiero, B.D., Mesecar, A.D., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 583-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 38.1 |
| 2 (CH2) | 17.5 |
| 3 (CH2) | 36.3 |
| 4 (C) | 46.2 |
| 5 (CH) | 48.7 |
| 6 (CH2) | 23.5 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 40 |
| 9 (CH) | 44.9 |
| 10 (C) | 35.7 |
| 11 (CH2) | 37.5 |
| 12 (C) | 105.6 |
| 13 (C) | 173.2 |
| 14 (CH) | 35.8 |
| 15 (CH) | 112.5 |
| 16 (C) | 170.3 |
| 17 (CH3) | 12.5 |
| 18 (C) | 179.5 |
| 19 (CH3) | 16.7 |
| 20 (CH3) | 14 |
