Spektraris NMR
xeniolide C
Common Name: xeniolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-14(2)21(26-17(5)23)12-11-19-18-10-9-15(3)7-6-8-16(4)20(18)13-25-22(19)24/h7,11,18,20-21H,1,4,6,8-10,12-13H2,2-3,5H3/b15-7+,19-11+/t18-,20+,21?/m1/s1
InChIKey: InChIKey=ZQNYFJWSDUYQGB-DSQDWKGWSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hooper, G.J., Davies-Coleman, M.T., Schleyer, M. J Nat Prod (1997) 60, 889-93
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) | 152.3 |
| 2 (CH) | 49.4 |
| 3 (CH) | 43.8 |
| 4 (CH2) | 37.6 |
| 5 (CH2) | 40.3 |
| 6 (C) | 135.3 |
| 7 (CH) | 124.6 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 34.6 |
| 10 (C) | 136.8 |
| 11 (CH) | 133.2 |
| 12 (CH2) | 31 |
| 13 (CH) | 75.5 |
| 14 (C) | 142 |
| 15 (CH3) | 18.5 |
| 16 (CH2) | 113.5 |
| 17 (C) | 170.6 |
| 18 (CH2) | 70.9 |
| 19 (CH2) | 113.1 |
| 20 (CH3) | 18.5 |
| 13a (C) | 169.9 |
| 13b (CH3) | 21.1 |
