Spektraris NMR
xenitacin
Common Name: xenitacin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O6/c1-14-7-9-19-23(5,29-19)12-11-17(20(14)21(25)26-6)16(13-27-15(2)24)8-10-18-22(3,4)28-18/h8,17-20H,1,7,9-13H2,2-6H3/b16-8-/t17-,18?,19+,20+,23+/m1/s1
InChIKey: InChIKey=IUVFOVFYOYFLRB-CUAQSNGHSA-N
Formula: C23H34O6
Molecular Weight: 406.513341
Exact Mass: 406.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., El-Gamal, A.A., Chiang, C.Y., Chu, C.J., Wang, S.K., Dai, C.F. J Nat Prod (2002) 65, 1882-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 143 |
| 2 (CH) | 60.6 |
| 3 (CH) | 38.3 |
| 4 (CH2) | 28.7 |
| 5 (CH2) | 38.3 |
| 6 (C) | 59.7 |
| 7 (CH) | 63.6 |
| 8 (CH2) | 27.3 |
| 9 (CH2) | 26.1 |
| 10 (C) | 138.2 |
| 11 (CH) | 126.6 |
| 12 (CH2) | 28.1 |
| 13 (CH) | 63.2 |
| 14 (C) | 58.8 |
| 15 (CH3) | 24.8 |
| 16 (CH3) | 18.9 |
| 17 (CH2) | 65.2 |
| 18 (C) | 172.5 |
| 19 (CH2) | 121.2 |
| 20 (CH3) | 18.8 |
| 17a (C) | 170.8 |
| 17b (CH3) | 21.1 |
| 18a (CH3) | 51.7 |
