Spektraris NMR
Xylarenone B
Common Name: Xylarenone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-9-5-6-13(19)12-7-14(20)17(10(2)8-21-11(3)18)15(22-17)16(9,12)4/h7,9,13,15,19H,2,5-6,8H2,1,3-4H3/t9-,13+,15+,16+,17-/m0/s1
InChIKey: InChIKey=XPBYFVXUSZCMJO-XXFLZMBESA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hu, Z.Y., Li, Y.Y., Huang, Y.J., Su, W.J., Shen, Y.M. Helv Chim Acta (2008) 91, 46-52
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 73.6 |
| 2 (CH2) | 33.1 |
| 3 (CH2) | 24.4 |
| 4 (CH) | 37.7 |
| 5 (C) | 40.9 |
| 6 (CH) | 69.6 |
| 7 (C) | 62.2 |
| 8 (C) | 193.5 |
| 9 (CH) | 123.3 |
| 10 (C) | 162.7 |
| 11 (C) | 138.5 |
| 12 (CH2) | 117.2 |
| 13 (CH2) | 65.1 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 15.8 |
| 13a (C) | 170.4 |
| 13b (CH3) | 20.9 |
