Spektraris NMR
Xeniolide I
Common Name: Xeniolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-10-7-15-17(25-15)20(4,23)6-5-11-12(18(22)24-9-13(10)11)8-14(21)16-19(2,3)26-16/h8,11,13-17,21,23H,1,5-7,9H2,2-4H3/b12-8+/t11-,13+,14?,15-,16?,17-,20+/m1/s1
InChIKey: InChIKey=XOKJZCSNCKKVMD-UYJJJQDHSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Goldberg, I., Benayahu, Y., Kashman, Y. Tetrahedron (2006) 62, 12092-7
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) | 144.3 |
| 2 (CH) | 44.4 |
| 3 (CH) | 36.2 |
| 4 (CH2) | 32.5 |
| 5 (CH2) | 32.7 |
| 6 (C) | 70.9 |
| 7 (CH) | 62.5 |
| 8 (CH) | 59.1 |
| 9 (CH2) | 34.8 |
| 10 (C) | 135.8 |
| 11 (CH) | 141 |
| 12 (CH) | 66.3 |
| 13 (CH) | 65 |
| 14 (C) | 59.5 |
| 15 (CH3) | 19.1 |
| 16 (CH3) | 24.1 |
| 17 (C) | 169.1 |
| 18 (CH2) | 69.9 |
| 19 (CH2) | 119.8 |
| 20 (CH3) | 32.7 |
