Spektraris NMR
Kinalborin C
Common Name: Kinalborin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-11-7-16-20(10-21)13(17(22)26-16)3-2-4-15(20)19(11)8-14(25-18(19)23)12-5-6-24-9-12/h5-6,9,11,13-16,21H,2-4,7-8,10H2,1H3/t11-,13-,14+,15-,16-,19-,20+/m1/s1
InChIKey: InChIKey=HSTQCNXDHJXHRV-JQRODZHKSA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Deng, Y., Peng, S.L., Zhang, Q., Liao, X., Ding, L.S. Helv Chim Acta (2002) 85, 2547-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 19.5 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 24 |
| 4 (CH) | 46.3 |
| 5 (C) | 47.1 |
| 6 (CH) | 77.6 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 34.3 |
| 9 (C) | 50.5 |
| 10 (CH) | 46.7 |
| 11 (CH2) | 41.7 |
| 12 (CH) | 72.1 |
| 13 (C) | 124.6 |
| 14 (CH) | 107.9 |
| 15 (CH) | 144.3 |
| 16 (CH) | 139.8 |
| 17 (CH3) | 16.2 |
| 18 (C) | 178.4 |
| 19 (CH2) | 58.4 |
| 20 (C) | 178 |
