Spektraris NMR
6-O-Nicotinoyl-7-O-acetylscutebarbatine G
Common Name: 6-O-Nicotinoyl-7-O-acetylscutebarbatine G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H38N2O9/c1-20-9-6-12-24-31(20,3)27(44-30(40)23-11-8-14-36-18-23)28(42-21(2)37)33(5)32(24,4)25(15-34(45-33)16-26(38)41-19-34)43-29(39)22-10-7-13-35-17-22/h7-11,13-14,17-18,24-25,27-28H,6,12,15-16,19H2,1-5H3/t24-,25-,27-,28-,31-,32-,33-,34-/m0/s1
InChIKey: InChIKey=MCZQKBCMIDJMDT-RJGRQJGLSA-N
Formula: C34H38N2O9
Molecular Weight: 618.6749
Exact Mass: 618.257731
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 |
| 3 (CH) | 120.2 |
| 4 (C) | 143.4 |
| 5 (C) | 44.9 |
| 6 (CH) | 74.5 |
| 7 (CH) | 74.1 |
| 8 (C) | 81.1 |
| 9 (C) | 39 |
| 10 (CH) | 43.5 |
| 11 (CH) | 71.8 |
| 12 (CH2) | 29.5 |
| 13 (C) | 76.8 |
| 14 (CH2) | 44.5 |
| 15 (C) | 173.6 |
| 16 (CH2) | 76.6 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 20.4 |
| 19 (CH3) | 17 |
| 20 (CH3) | 19.8 |
| 6a (C) | 164.4 |
| 6b (C) | 126.1 |
| 6c (CH) | 150.9 |
| 6e (CH) | 154 |
| 6f (CH) | 123.7 |
| 6g (CH) | 137.1 |
| 7a (C) | 171 |
| 7b (CH3) | 21.6 |
| 11a (C) | 164.6 |
| 11b (C) | 126.2 |
| 11c (CH) | 151.2 |
| 11e (CH) | 154.1 |
| 11f (CH) | 123.8 |
| 11g (CH) | 137.2 |
