Spektraris NMR
Kinalborin A
Common Name: Kinalborin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O7/c1-18(24)8-15(21)19-10-26-16(22)12(19)3-2-4-14(19)20(18)7-13(27-17(20)23)11-5-6-25-9-11/h3,5-6,9,13-14,24H,2,4,7-8,10H2,1H3/t13-,14-,18-,19-,20+/m0/s1
InChIKey: InChIKey=XKNAFARAUCBPES-TXGHUNKASA-N
Formula: C20H20O7
Molecular Weight: 372.369368
Exact Mass: 372.120903
NMR Solvent: C5D5N
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) | 21.2 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 136.6 |
| 4 (C) | 133.1 |
| 5 (C) | 59.2 |
| 6 (C) | 206.2 |
| 7 (CH2) | 49.7 |
| 8 (C) | 76.6 |
| 9 (C) | 55.8 |
| 10 (CH) | 45.4 |
| 11 (CH2) | 38.5 |
| 12 (CH) | 72.3 |
| 13 (C) | 125.5 |
| 14 (CH) | 108.8 |
| 15 (CH) | 144.9 |
| 16 (CH) | 141 |
| 17 (CH3) | 25.4 |
| 18 (C) | 168 |
| 19 (CH2) | 71.4 |
| 20 (C) | 177.7 |
