Spektraris NMR
Cyrneinas
Common Name: Cyrneinas
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-12(2)14-10-17(23)20(4)8-7-19(3)15(18(14)20)6-5-13(11-21)9-16(19)22/h5-6,11-12,16-17,22-23H,7-10H2,1-4H3/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=IXBCZHOTZLYJDA-CUDHKJQZSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marcotullio, M.C., Pagiott, R., Maltese, F., Obara, Y., Hoshino, T., Nakahata, N., Curini, M. Planta Med (2006) 72, 819-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cyathanes; 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) | 81.3 |
| 2 (CH2) | 37.6 |
| 3 (C) | 143.9 |
| 4 (C) | 140.9 |
| 5 (C) | 153.9 |
| 6 (C) | 48 |
| 7 (CH2) | 33.7 |
| 8 (CH2) | 34.9 |
| 9 (C) | 50.3 |
| 10 (CH) | 120.3 |
| 11 (CH) | 144.7 |
| 12 (C) | 138.5 |
| 13 (CH2) | 29.7 |
| 14 (CH) | 74.6 |
| 15 (CH) | 194.5 |
| 16 (CH3) | 26.7 |
| 17 (CH3) | 16.6 |
| 18 (CH) | 26.9 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 21.9 |
