Spektraris NMR
Xenimanadin A
Common Name: Xenimanadin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-15-10-11-18-19(9-8-12-23(3,4)27-7)21(25-5)28-22(26-6)20(18)16(2)14-17(24)13-15/h8-9,12-13,17-18,20-22,24H,2,10-11,14H2,1,3-7H3/b12-8+,15-13+,19-9-/t17-,18+,20-,21-,22-/m0/s1
InChIKey: InChIKey=ITJGGQBNZBMBLH-BEEUFEQASA-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) | 150.5 |
| 2 (CH) | 56.1 |
| 3 (CH) | 51.3 |
| 4 (CH2) | 36 |
| 5 (CH2) | 40.5 |
| 6 (C) | 133.5 |
| 7 (CH) | 131.5 |
| 8 (CH) | 68 |
| 9 (CH2) | 47.2 |
| 10 (C) | 139.5 |
| 11 (CH) | 128.7 |
| 12 (CH) | 126.2 |
| 13 (CH) | 140.6 |
| 14 (C) | 75.2 |
| 15 (CH3) | 26.1 |
| 16 (CH3) | 26.1 |
| 17 (CH) | 100 |
| 18 (CH) | 104.5 |
| 19 (CH2) | 112.7 |
| 20 (CH3) | 18 |
| 14a (CH3) | 50.9 |
| 17a (CH3) | 55.5 |
| 18a (CH3) | 57.2 |
