Spektraris NMR
Florxenilide C
Common Name: Florxenilide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-19(2,24)9-5-6-14-12-26-18(23)17-15(14)7-10-20(3)13-21(17,25-4)11-8-16(20)22/h5-6,9,15-17,22,24H,7-8,10-13H2,1-4H3/b9-5+,14-6-/t15-,16+,17+,20+,21-/m1/s1
InChIKey: InChIKey=CUFNSNQMTXWTPT-AFAVWLOWSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Jang, J.Y., Khalil, A.T., Kuo, Y.H., Shen, Y.C. J Nat Prod (2006) 69, 675-8
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) | 75.7 |
| 2 (CH) | 53.9 |
| 3 (CH) | 37.8 |
| 4 (CH2) | 34 |
| 5 (CH2) | 37.9 |
| 6 (C) | 36.9 |
| 7 (CH) | 73.8 |
| 8 (CH2) | 27.8 |
| 9 (CH2) | 21.2 |
| 10 (C) | 136.9 |
| 11 (CH) | 127.7 |
| 12 (CH) | 120.5 |
| 13 (CH) | 145 |
| 14 (C) | 70.8 |
| 15 (CH3) | 29.8 |
| 16 (CH3) | 29.7 |
| 17 (CH2) | 70.9 |
| 18 (C) | 171.4 |
| 19 (CH2) | 38.4 |
| 20 (CH3) | 30.5 |
| 1a (CH3) | 48.5 |
