Spektraris NMR
Scutebarbatine G
Common Name: Scutebarbatine G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H33NO7/c1-15-7-5-9-17-23(15,2)20(29)21(30)25(4)24(17,3)18(11-26(34-25)12-19(28)32-14-26)33-22(31)16-8-6-10-27-13-16/h6-8,10,13,17-18,20-21,29-30H,5,9,11-12,14H2,1-4H3/t17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChIKey: InChIKey=DKZZSXIGMYMOLZ-AYADQQEJSA-N
Formula: C26H33N1O7
Molecular Weight: 471.543756
Exact Mass: 471.225702
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) | 28.7 |
| 2 (CH2) | 33 |
| 3 (CH) | 118.7 |
| 4 (C) | 146.4 |
| 5 (C) | 44.3 |
| 6 (CH) | 74.5 |
| 7 (CH) | 76.4 |
| 8 (C) | 81.5 |
| 9 (C) | 38.7 |
| 10 (CH) | 43.4 |
| 11 (CH) | 72.9 |
| 12 (CH2) | 29.3 |
| 13 (C) | 76.3 |
| 14 (CH2) | 42.4 |
| 15 (C) | 174.7 |
| 16 (CH2) | 79.8 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 21.8 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 21.7 |
| 11a (C) | 164.6 |
| 11b (C) | 126.5 |
| 11c (CH) | 151.1 |
| 11e (CH) | 153.8 |
| 11f (CH) | 123.8 |
| 11g (CH) | 137.7 |
