Spektraris NMR
9-hydroxyxeniolide-F
Common Name: 9-hydroxyxeniolide-F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-7-8-14-15(6-5-9-20(3,4)24)19(23)25-11-16(14)13(2)10-17(21)18(12)22/h5-6,9,14,16-18,21-22,24H,1-2,7-8,10-11H2,3-4H3/b9-5+,15-6-/t14-,16+,17-,18-/m1/s1
InChIKey: InChIKey=DFVRPHGROBFFBS-KORXDNNLSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
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) | 147 |
| 2 (CH) | 42.5 |
| 3 (CH) | 45.6 |
| 4 (CH2) | 36.6 |
| 5 (CH2) | 27.8 |
| 6 (C) | 145.5 |
| 7 (CH) | 81.1 |
| 8 (CH) | 71 |
| 9 (CH2) | 42.2 |
| 10 (C) | 131.1 |
| 11 (CH) | 139.1 |
| 12 (CH) | 122.8 |
| 13 (CH) | 148.7 |
| 14 (C) | 70.9 |
| 15 (CH3) | 29.4 |
| 16 (CH3) | 29.3 |
| 17 (C) | 169 |
| 18 (CH2) | 70.2 |
| 19 (CH2) | 115.4 |
| 20 (CH2) | 118.8 |
