Spektraris NMR
Cluytene E
Common Name: Cluytene E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O8/c1-12-19(25)31-16(14-7-10-29-11-14)15-17(30-13(2)24)18-21(3,20(26)28-5)8-6-9-22(18,4)23(12,15)27/h7,10-12,15-18,27H,6,8-9H2,1-5H3/t12-,15+,16-,17+,18-,21+,22+,23-/m1/s1
InChIKey: InChIKey=QETYWMYOXJVXOY-NGKYRBNCSA-N
Formula: C23H30O8
Molecular Weight: 434.480388
Exact Mass: 434.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Mossa, J.S., Alyahya, M.A., Mirza, H.H., Elferaly, F.S., McPhail, A.T. Phytochemistry (1994) 37, 1377-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 34.2 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 32.3 |
| 4 (C) | 43.4 |
| 5 (CH) | 52.4 |
| 6 (CH) | 73.9 |
| 7 (C) | 173.9 |
| 8 (CH) | 41.6 |
| 9 (C) | 83.6 |
| 10 (C) | 46.9 |
| 11 (CH) | 60 |
| 12 (CH) | 73 |
| 13 (C) | 121.5 |
| 14 (CH) | 109.2 |
| 15 (CH) | 143.6 |
| 16 (CH) | 141.5 |
| 17 (CH3) | 9.7 |
| 18 (CH3) | 28 |
| 19 (C) | 174.4 |
| 20 (CH3) | 22 |
| 6a (C) | 169.3 |
| 6b (CH3) | 20.5 |
| 19a (CH3) | 52.1 |
