Spektraris NMR
7-O-Nicotinoylscutebarbatine H
Common Name: 7-O-Nicotinoylscutebarbatine H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H34N2O8/c1-18-8-5-11-22-30(18,2)25(41-27(35)19-9-6-12-33-15-19)26(42-28(36)20-10-7-13-34-16-20)32(4,38)31(22,3)23-14-21-17-39-29(37)24(21)40-23/h6-10,12-13,15-16,22-23,25-26,38H,5,11,14,17H2,1-4H3/t22-,23+,25-,26-,30-,31-,32-/m0/s1
InChIKey: InChIKey=SWHUWIGLVRXJBW-IVZGSMFXSA-N
Formula: C32H34N2O8
Molecular Weight: 574.62226
Exact Mass: 574.231516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Wang, G.F., Chen, M., Liu, K., Shen, L. Chem Pharm Bull (2007) 55, 1218-21
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) | 19.6 |
| 2 (CH2) | 26 |
| 3 (CH) | 123.6 |
| 4 (C) | 141.1 |
| 5 (C) | 43.2 |
| 6 (CH) | 76.3 |
| 7 (CH) | 77.1 |
| 8 (C) | 78.3 |
| 9 (C) | 47.7 |
| 10 (CH) | 40.6 |
| 11 (CH) | 75.6 |
| 12 (CH2) | 28.9 |
| 13 (C) | 130.3 |
| 14 (C) | 139 |
| 15 (C) | 171.3 |
| 16 (CH2) | 69.9 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 20.5 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 16.4 |
| 6a (C) | 164.6 |
| 6b (C) | 126.2 |
| 6c (CH) | 150.5 |
| 6e (CH) | 153.2 |
| 6f (CH) | 123.7 |
| 6g (CH) | 138 |
| 7a (C) | 164.5 |
| 7b (C) | 125.3 |
| 7c (CH) | 150.2 |
| 7e (CH) | 153.1 |
| 7f (CH) | 123.6 |
| 7g (CH) | 137.4 |
