Spektraris NMR
Quesnoin
Common Name: Quesnoin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-17-6-3-7-18(2,16(21)22)13(17)4-8-19-10-12-11-20(23,15(19)24-12)9-5-14(17)19/h12-15,23H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14+,15-,17-,18+,19-,20+/m1/s1
InChIKey: InChIKey=KVZUXTIZQSVUTI-UFNXIUMKSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jossang, J., Bel-Kassaoui, H., Jossang, A., Seuleiman, M., Nel, A. J Org Chem (2008) 73, 412-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Quesnanes; 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) | 38.3 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 36 |
| 4 (C) | 47.2 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 40.5 |
| 8 (C) | 44.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 32.4 |
| 13 (C) | 77.9 |
| 14 (CH) | 93.1 |
| 15 (CH2) | 46.8 |
| 16 (CH) | 77.6 |
| 17 (CH2) | 37.2 |
| 18 (C) | 182.7 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 15.7 |
