Spektraris NMR
xenibecin
Common Name: xenibecin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15-9-7-10-16(2)19-17(13-12-15)18(11-8-14-22(3,4)23)20(24-5)26-21(19)25-6/h8-9,11,14,17,19-21,23H,2,7,10,12-13H2,1,3-6H3/b14-8+,15-9+,18-11+/t17-,19+,20+,21+/m1/s1
InChIKey: InChIKey=FQSNNBZYQHKNDZ-AQUXDQNHSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 154.7 |
| 2 (CH) | 56.2 |
| 3 (CH) | 44.5 |
| 4 (CH2) | 35.9 |
| 5 (CH2) | 40.5 |
| 6 (C) | 135.4 |
| 7 (CH) | 124.3 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 35.8 |
| 10 (C) | 139.5 |
| 11 (CH) | 124.5 |
| 12 (CH) | 121 |
| 13 (CH) | 144 |
| 14 (C) | 71 |
| 15 (CH3) | 29.9 |
| 16 (CH3) | 29.9 |
| 17 (CH) | 99.4 |
| 18 (CH) | 104.5 |
| 19 (CH2) | 110.3 |
| 20 (CH3) | 16.7 |
| 17a (CH3) | 57 |
| 18a (CH3) | 55.3 |
