Spektraris NMR
Kinalborin B
Common Name: Kinalborin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O7/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/h3,5-6,9,13-15,21,24H,2,4,7-8,10H2,1H3/t13-,14-,15+,18-,19-,20+/m0/s1
InChIKey: InChIKey=YBKBTNNWTRNMQL-LVNOUGRESA-N
Formula: C20H22O7
Molecular Weight: 374.385249
Exact Mass: 374.136553
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) | 21 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 139.6 |
| 4 (C) | 135.4 |
| 5 (C) | 51.1 |
| 6 (CH) | 69.7 |
| 7 (CH2) | 37 |
| 8 (C) | 76.7 |
| 9 (C) | 56.1 |
| 10 (CH) | 38.8 |
| 11 (CH2) | 38.5 |
| 12 (CH) | 72.1 |
| 13 (C) | 124.6 |
| 14 (CH) | 108.2 |
| 15 (CH) | 144.3 |
| 16 (CH) | 139.9 |
| 17 (CH3) | 25 |
| 18 (C) | 169 |
| 19 (CH2) | 72 |
| 20 (C) | 177.8 |
