Spektraris NMR
4a,18-epoxytafricanin B
Common Name: 4a,18-epoxytafricanin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O9/c1-13-8-20(32-15(3)26)23(11-30-14(2)25)18(4-5-19(27)24(23)12-31-24)22(13)9-17(33-21(22)28)16-6-7-29-10-16/h6-7,10,13,17-18,20H,4-5,8-9,11-12H2,1-3H3/t13-,17+,18-,20+,22-,23+,24-/m1/s1
InChIKey: InChIKey=YGCWZWKQTXOXNC-QSQWZJICSA-N
Formula: C24H28O9
Molecular Weight: 460.474647
Exact Mass: 460.173332
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Bondi, M.L., Rosselli, S., Maggio, A., Piozzi, F., Arnold, N.A. J Nat Prod (2002) 65, 142-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 23.1 |
| 2 (CH2) | 39.2 |
| 3 (C) | 202.9 |
| 4 (C) | 65.2 |
| 5 (C) | 46.2 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 38.6 |
| 9 (C) | 51.9 |
| 10 (CH) | 50.8 |
| 11 (CH2) | 43.9 |
| 12 (CH) | 72.2 |
| 13 (C) | 124.9 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.4 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 51 |
| 19 (CH2) | 62.8 |
| 20 (C) | 176 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.2 |
| 19a (C) | 169.3 |
| 19b (CH3) | 20.6 |
