Spektraris NMR
Xenicin
Common Name: Xenicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12(2)7-19(22)20(23)18-11-24-10-17-14(4)9-15(21)8-13(3)5-6-16(17)18/h7-8,11,15-17,19-23H,4-6,9-10H2,1-3H3/b13-8+/t15?,16-,17-,19?,20?/m0/s1
InChIKey: InChIKey=SLGDKNNCMIOAHK-DXKMFJHZSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rudi, A., Ketzinel, S., Goldberg, I., Stein, Z., Kashman, Y., Benayahu, Y., Schleyer, M. J Nat Prod (1995) 58, 1581-6
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) | 146.5 |
| 2 (CH) | 43.1 |
| 3 (CH) | 37.1 |
| 4 (CH2) | 30.5 |
| 5 (CH2) | 40.8 |
| 6 (C) | 134.3 |
| 7 (CH) | 126.2 |
| 8 (CH) | 70.6 |
| 9 (CH2) | 42.9 |
| 10 (C) | 113.5 |
| 11 (CH) | 76.4 |
| 12 (CH) | 69.8 |
| 13 (CH) | 119.6 |
| 14 (C) | 140.7 |
| 15 (CH3) | 18.9 |
| 16 (CH3) | 25.6 |
| 17 (CH) | 142.6 |
| 18 (CH2) | 91.7 |
| 19 (CH2) | 116.1 |
| 20 (CH3) | 17.5 |
