Spektraris NMR
Xeniolide-F
Common Name: Xeniolide-F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-8-10-18(21)14(2)7-9-15-16(6-5-11-20(3,4)23)19(22)24-12-17(13)15/h5-6,11,15,17-18,21,23H,1-2,7-10,12H2,3-4H3/b11-5+,16-6-/t15-,17+,18+/m1/s1
InChIKey: InChIKey=DKAXGACCDFMXHY-ZZCQCBSDSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anta, C., Gonzalez, N., Santafe, G., Rodriguez, J., Jimenez, C. J Nat Prod (2002) 65, 766-8
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) | 149.5 |
| 2 (CH) | 40.9 |
| 3 (CH) | 46.4 |
| 4 (CH2) | 35.7 |
| 5 (CH2) | 25.4 |
| 6 (C) | 149.1 |
| 7 (CH) | 76.6 |
| 8 (CH2) | 31.9 |
| 9 (CH2) | 32.9 |
| 10 (C) | 131.2 |
| 11 (CH) | 138.6 |
| 12 (CH) | 122.7 |
| 13 (CH) | 148 |
| 14 (C) | 70.9 |
| 15 (CH3) | 29.3 |
| 16 (CH3) | 29.4 |
| 17 (C) | 168.9 |
| 18 (CH2) | 70.4 |
| 19 (CH2) | 113.5 |
| 20 (CH2) | 115.5 |
