Spektraris NMR
6,7-di-O-Nicotinoylscutebarbatine G
Common Name: 6,7-di-O-Nicotinoylscutebarbatine G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H39N3O9/c1-23-9-5-13-27-35(23,2)30(48-33(44)25-11-7-15-40-20-25)31(49-34(45)26-12-8-16-41-21-26)37(4)36(27,3)28(17-38(50-37)18-29(42)46-22-38)47-32(43)24-10-6-14-39-19-24/h6-12,14-16,19-21,27-28,30-31H,5,13,17-18,22H2,1-4H3/t27-,28-,30-,31-,35-,36-,37-,38-/m0/s1
InChIKey: InChIKey=JSOPCSZTJHEWCM-LPOFKSSBSA-N
Formula: C38H39N3O9
Molecular Weight: 681.732527
Exact Mass: 681.26863
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) | 28.8 |
| 2 (CH2) | 33.3 |
| 3 (CH) | 120.5 |
| 4 (C) | 143.2 |
| 5 (C) | 45.4 |
| 6 (CH) | 74.6 |
| 7 (CH) | 75.4 |
| 8 (C) | 81.2 |
| 9 (C) | 39 |
| 10 (CH) | 43.6 |
| 11 (CH) | 71.8 |
| 12 (CH2) | 29.2 |
| 13 (C) | 76.9 |
| 14 (CH2) | 44.8 |
| 15 (C) | 173.6 |
| 16 (CH2) | 76.6 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 20.4 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 19.8 |
| 6a (C) | 164.3 |
| 6b (C) | 125 |
| 6c (CH) | 150.7 |
| 6e (CH) | 153.7 |
| 6f (CH) | 123.6 |
| 6g (CH) | 137 |
| 7a (C) | 165.1 |
| 7b (C) | 126.1 |
| 7c (CH) | 151.2 |
| 7e (CH) | 154 |
| 7f (CH) | 123.8 |
| 7g (CH) | 137.4 |
| 11a (C) | 164.5 |
| 11b (C) | 125.8 |
| 11c (CH) | 150.8 |
| 11e (CH) | 153.9 |
| 11f (CH) | 123.5 |
| 11g (CH) | 137.2 |
