Spektraris NMR
Oxaloterpin D
Common Name: Oxaloterpin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H33NO3/c1-6-21(4)11-9-15-14(13-21)7-8-16-20(2,3)17(10-12-22(15,16)5)26-19(25)18(23)24/h6,9,14,16-17H,1,7-8,10-13H2,2-5H3,(H2,23,24)/t14-,16+,17+,21-,22-/m0/s1
InChIKey: InChIKey=ROGOIRNZFGWBLA-OIRDONMBSA-N
Formula: C22H33N1O3
Molecular Weight: 359.503192
Exact Mass: 359.246044
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Motohashi, K., Ueno, R., Sue, M., Furihata, K., Matsumoto, T., Dairi, T., Omura, S., Seto, H. J Nat Prod (2007) 70, 1712-7
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) | 38.3 |
| 2 (CH2) | 24.4 |
| 3 (CH) | 84.9 |
| 4 (C) | 38.4 |
| 5 (CH) | 45 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 26.6 |
| 8 (CH) | 29.4 |
| 9 (C) | 150.4 |
| 10 (C) | 37.5 |
| 11 (CH) | 116.4 |
| 12 (CH2) | 37.6 |
| 13 (C) | 34.8 |
| 14 (CH2) | 41.5 |
| 15 (CH) | 150.2 |
| 16 (CH2) | 109.2 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 25.3 |
| 3a (C) | 158.4 |
| 3b (C) | 159.8 |
