Spektraris NMR
Cluytene D
Common Name: Cluytene D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-10-15-14(16(31-20(10)25)12-6-7-28-9-12)17(29-11(2)24)18-22(3,21(26)27-5)8-13-19(30-13)23(15,18)4/h6-7,9,13-14,16-19H,8H2,1-5H3/t13-,14+,16-,17+,18-,19-,22+,23-/m1/s1
InChIKey: InChIKey=AEXWFPMRRNPYAM-BEMOWIDWSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
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 (CH) | 53.5 |
| 2 (CH) | 51.8 |
| 3 (CH2) | 37.6 |
| 4 (C) | 43.2 |
| 5 (CH) | 51.5 |
| 6 (CH) | 71.2 |
| 7 (C) | 166.2 |
| 8 (C) | 122.7 |
| 9 (C) | 157.8 |
| 10 (C) | 43.7 |
| 11 (CH) | 50 |
| 12 (CH) | 76.4 |
| 13 (C) | 121.3 |
| 14 (CH) | 109 |
| 15 (CH) | 143.5 |
| 16 (CH) | 141.6 |
| 17 (CH3) | 14 |
| 18 (CH3) | 26.5 |
| 19 (C) | 176.5 |
| 20 (CH3) | 19.4 |
| 6a (C) | 168.7 |
| 6b (CH3) | 19.6 |
| 19a (CH3) | 52 |
