Spektraris NMR
Chagresnone
Common Name: Chagresnone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-13(24)26-11-16-19-14-6-7-17-20(2,12-23)8-5-9-21(17,3)15(14)10-18(25)22(16,19)4/h14-17,19,23H,5-12H2,1-4H3/t14-,15+,16+,17+,19+,20+,21-,22+/m1/s1
InChIKey: InChIKey=YEMYUZHZOZMLBB-MNLFQKFRSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torres-Mendoza, D., Urena Gonzalez, L.D., Ortega-Barria, E., Coley, P.D., Kursar, T.A., Capson, T.L., McPhail, K., Cubilla-Rios, L. J Nat Prod (2004) 67, 1711-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 35.5 |
| 4 (C) | 38.4 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 35.5 |
| 8 (CH) | 36.7 |
| 9 (CH) | 56.9 |
| 10 (C) | 37.2 |
| 11 (CH2) | 36.4 |
| 12 (C) | 210.7 |
| 13 (C) | 33.4 |
| 14 (CH) | 38.5 |
| 15 (CH) | 33.2 |
| 16 (CH2) | 63.8 |
| 17 (CH3) | 14.3 |
| 18 (CH2) | 65.1 |
| 19 (CH3) | 26.9 |
| 20 (CH3) | 14.7 |
| 16a (C) | 170.9 |
| 16b (CH3) | 20.9 |
