Spektraris NMR
Cluytene C
Common Name: Cluytene C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-10-14-13-5-7-21(3)18(22(13,4)29-20(21)25)17(27-11(2)23)15(14)16(28-19(10)24)12-6-8-26-9-12/h6,8-9,13,15-18H,5,7H2,1-4H3/t13-,15-,16+,17+,18-,21+,22-/m0/s1
InChIKey: InChIKey=KDMDXTVAWMFAAB-GEKOJBQBSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
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) | 40.4 |
| 2 (CH2) | 25.4 |
| 3 (CH2) | 28.6 |
| 4 (C) | 46.4 |
| 5 (CH) | 53.1 |
| 6 (CH) | 68.1 |
| 7 (C) | 164.7 |
| 8 (C) | 124.5 |
| 9 (C) | 151.8 |
| 10 (C) | 82.5 |
| 11 (CH) | 41.6 |
| 12 (CH) | 71.2 |
| 13 (C) | 121.5 |
| 14 (CH) | 108.3 |
| 15 (CH) | 144.4 |
| 16 (CH) | 141 |
| 17 (CH3) | 12.6 |
| 18 (CH3) | 19.2 |
| 19 (C) | 177.7 |
| 20 (CH3) | 24.3 |
| 6a (C) | 168.5 |
| 6b (CH3) | 20.9 |
