Spektraris NMR
Xenimanadin B
Common Name: Xenimanadin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O6/c1-14-13-17(24)19-23(4,29-19)12-10-15-16(9-8-11-22(2,3)27-7)20(25-5)28-21(26-6)18(14)15/h8-9,11,15,17-21,24H,1,10,12-13H2,2-7H3/b11-8+,16-9-/t15-,17-,18+,19-,20+,21+,23+/m1/s1
InChIKey: InChIKey=CBMLJQGGJCPLPJ-VWNPWSFESA-N
Formula: C23H36O6
Molecular Weight: 408.529222
Exact Mass: 408.251189
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) | 150 |
| 2 (CH) | 54.8 |
| 3 (CH) | 51.6 |
| 4 (CH2) | 36.1 |
| 5 (CH2) | 40.6 |
| 6 (C) | 60.5 |
| 7 (CH) | 67 |
| 8 (CH) | 69 |
| 9 (CH2) | 44.9 |
| 10 (C) | 135.9 |
| 11 (CH) | 129 |
| 12 (CH) | 126.1 |
| 13 (CH) | 141.3 |
| 14 (C) | 75.8 |
| 15 (CH3) | 26 |
| 16 (CH3) | 26 |
| 17 (CH) | 99.7 |
| 18 (CH) | 104.4 |
| 19 (CH2) | 114.4 |
| 20 (CH3) | 17.6 |
| 14a (CH3) | 50.6 |
| 17a (CH3) | 55.3 |
| 18a (CH3) | 57 |
