Spektraris NMR
Scutebarbatine H
Common Name: Scutebarbatine H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H31NO7/c1-14-7-5-9-17-24(14,2)21(34-22(29)15-8-6-10-27-12-15)20(28)26(4,31)25(17,3)18-11-16-13-32-23(30)19(16)33-18/h6-8,10,12,17-18,20-21,28,31H,5,9,11,13H2,1-4H3/t17-,18+,20-,21-,24-,25-,26-/m0/s1
InChIKey: InChIKey=ADBRHQRSKHISPR-JYNQJKKPSA-N
Formula: C26H31N1O7
Molecular Weight: 469.527874
Exact Mass: 469.210052
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) | 19.7 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 123.7 |
| 4 (C) | 141.4 |
| 5 (C) | 42.8 |
| 6 (CH) | 79.5 |
| 7 (CH) | 74.5 |
| 8 (C) | 79.1 |
| 9 (C) | 47.2 |
| 10 (CH) | 40.6 |
| 11 (CH) | 76.1 |
| 12 (CH2) | 28.8 |
| 13 (C) | 130.9 |
| 14 (C) | 138.8 |
| 15 (C) | 171.3 |
| 16 (CH2) | 70.2 |
| 17 (CH3) | 21.8 |
| 18 (CH3) | 20.9 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 16.5 |
| 6a (C) | 166.3 |
| 6b (C) | 127 |
| 6c (CH) | 150.5 |
| 6e (CH) | 153 |
| 6f (CH) | 124 |
| 6g (CH) | 138.8 |
