Spektraris NMR
Xenimanadin C
Common Name: Xenimanadin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-15-10-11-18-23(4,28-18)14-12-16-17(9-8-13-22(2,3)26-7)20(24-5)27-21(25-6)19(15)16/h8-9,13,16,18-21H,1,10-12,14H2,2-7H3/b13-8+,17-9-/t16-,18-,19+,20+,21+,23+/m1/s1
InChIKey: InChIKey=GDFFKFZGNXTLCE-BROOKKHZSA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fattorusso, E., Romano, A., Taglialatela-Scafati, O., Achmad, M.J., Bavastrello, G., Cerrane, C. Tetrahedron (2008) 64, 3141-6
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) | 139 |
| 2 (CH) | 54.3 |
| 3 (CH) | 51.7 |
| 4 (CH2) | 35.4 |
| 5 (CH2) | 40.6 |
| 6 (C) | 59.9 |
| 7 (CH) | 62.4 |
| 8 (CH2) | 27.8 |
| 9 (CH2) | 33.9 |
| 10 (C) | 135.5 |
| 11 (CH) | 128.8 |
| 12 (CH) | 126.1 |
| 13 (CH) | 141.1 |
| 14 (C) | 75.7 |
| 15 (CH3) | 26.2 |
| 16 (CH3) | 30.1 |
| 17 (CH) | 99.7 |
| 18 (CH) | 104.4 |
| 19 (CH2) | 105.5 |
| 20 (CH3) | 18.3 |
| 14a (CH3) | 50.6 |
| 17a (CH3) | 55.2 |
| 18a (CH3) | 57.1 |
