Spektraris NMR
Guan fu base S
Common Name: Guan fu base S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H29NO5/c1-11-8-22-9-14-17-21(4)6-5-7-23(17)18(22)16(29-12(2)26)15(11)19(30-13(3)27)24(22,28)20(23)25(14)10-21/h5-6,8,14-20,28H,7,9-10H2,1-4H3/t14-,15+,16-,17+,18+,19?,20?,21-,22+,23-,24?/m0/s1
InChIKey: InChIKey=GRACXUGOGSJRBJ-OHYBUDLKSA-N
Formula: C24H29N1O5
Molecular Weight: 411.491711
Exact Mass: 411.204573
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, C.H., Wang, X.C., Tang, Q.F., Liu, W.Y., Liu, J.H. Helv Chim Acta (2008) 91, 759-65
Species:
Notes: Family : Alkaloids, Type : Diterpenoids, Group : Hetisanes; 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) | 28.1 |
| 2 (CH) | 122.3 |
| 3 (CH) | 134.8 |
| 4 (C) | 39.2 |
| 5 (CH) | 56.7 |
| 6 (CH) | 73 |
| 7 (CH2) | 30 |
| 8 (C) | 48.5 |
| 9 (CH) | 46.3 |
| 10 (C) | 46.6 |
| 11 (CH) | 77.4 |
| 12 (CH) | 45.7 |
| 13 (CH) | 79.6 |
| 14 (C) | 80 |
| 15 (CH) | 126 |
| 16 (C) | 139.7 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 26.2 |
| 19 (CH2) | 68.7 |
| 20 (CH) | 64.5 |
| 11a (C) | 170.5 |
| 11b (CH3) | 21.3 |
| 13a (C) | 169.7 |
| 13b (CH3) | 21.2 |
