Spektraris NMR
Ciereszkolide
Common Name: Ciereszkolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-11-6-14-8-17(20(25)29-14)18(28-13(3)24)9-16-12(2)21(27-5)31-19(16)23(4)10-15(7-11)30-22(23)26/h7-8,10,14,16,18-19,21H,2,6,9H2,1,3-5H3/b11-7-/t14-,16-,18+,19-,21-,23+/m0/s1
InChIKey: InChIKey=QUEKAVYFBIDUDJ-KXSKSURKSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marrero, J., Rodriguez, A.D., Baran, P., Raptis, R.G. Eur J Org Chem (2004) 0, 3909-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ciereszkolanes; 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) | 41.7 |
| 2 (CH) | 85.5 |
| 3 (C) | 53.2 |
| 4 (CH) | 110.6 |
| 5 (C) | 150.2 |
| 6 (CH) | 117.2 |
| 7 (C) | 143.4 |
| 8 (CH2) | 40.6 |
| 9 (CH) | 77.6 |
| 10 (CH) | 157.9 |
| 11 (C) | 128.7 |
| 12 (CH) | 67.5 |
| 13 (CH2) | 38.3 |
| 14 (C) | 148.4 |
| 15 (CH2) | 112.4 |
| 16 (CH) | 105.5 |
| 17 (C) | 177.5 |
| 18 (CH3) | 20.5 |
| 19 (CH3) | 24.1 |
| 20 (C) | 169.5 |
| 12a (C) | 170.7 |
| 12b (CH3) | 21 |
| 16a (CH3) | 54.4 |
