Spektraris NMR
Oxaloterpin E
Common Name: Oxaloterpin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H33NO2/c1-6-20(4)11-9-15-14(13-20)7-8-16-19(2,3)17(24-18(22)23)10-12-21(15,16)5/h6,9,14,16-17H,1,7-8,10-13H2,2-5H3,(H2,22,23)/t14-,16+,17+,20-,21-/m0/s1
InChIKey: InChIKey=KRMRAHISZMONCP-HWKVVRSWSA-N
Formula: C21H33N1O2
Molecular Weight: 331.493052
Exact Mass: 331.251129
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) | 38.5 |
| 2 (CH2) | 24.8 |
| 3 (CH) | 81.9 |
| 4 (C) | 38.2 |
| 5 (CH) | 45 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 26.7 |
| 8 (CH) | 29.3 |
| 9 (C) | 150.7 |
| 10 (C) | 37.5 |
| 11 (CH) | 116.1 |
| 12 (CH2) | 37.5 |
| 13 (C) | 34.8 |
| 14 (CH2) | 41.5 |
| 15 (CH) | 150.3 |
| 16 (CH2) | 109.1 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 25.3 |
| 3a (C) | 157.2 |
