Spektraris NMR
Scutebarbatine C
Common Name: Scutebarbatine C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H35NO8/c1-30(16-14-21-18-25(35)40-20-21)24-13-8-15-31(2,38)32(24,3)26(41-29(37)23-12-9-17-34-19-23)27(33(30,4)39)42-28(36)22-10-6-5-7-11-22/h5-12,14-19,24,26-27,38-39H,13,20H2,1-4H3/b16-14+/t24-,26+,27+,30-,31+,32+,33+/m1/s1
InChIKey: InChIKey=XOXFENMJJYQPJP-VPHYOZAUSA-N
Formula: C33H35N1O8
Molecular Weight: 573.634194
Exact Mass: 573.236267
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Chen, M., Liu, K., Jiang, Y.T., Shen, L. Chem Pharm Bull (2006) 54, 869-72
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) | 24.7 |
| 2 (CH) | 128.3 |
| 3 (CH) | 133.7 |
| 4 (C) | 73.8 |
| 5 (C) | 46.2 |
| 6 (CH) | 74.1 |
| 7 (CH) | 75.5 |
| 8 (C) | 77.4 |
| 9 (C) | 48 |
| 10 (CH) | 37.3 |
| 11 (CH) | 146.7 |
| 12 (CH) | 122.1 |
| 13 (C) | 162.2 |
| 14 (CH) | 115.5 |
| 15 (C) | 174 |
| 16 (CH2) | 70.9 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 25.6 |
| 19 (CH3) | 12.6 |
| 20 (CH3) | 16 |
| 1' (C) | 165.7 |
| 2' (C) | 126.2 |
| 3' (CH) | 150.9 |
| 5' (CH) | 153.6 |
| 6' (CH) | 137.5 |
| 7' (CH) | 123.7 |
| 1'' (C) | 166.1 |
| 2'' (C) | 128.9 |
| 3'' (CH) | 129.8 |
| 4'' (CH) | 128.6 |
| 5'' (CH) | 133.4 |
| 6'' (CH) | 128.6 |
| 7'' (CH) | 129.8 |
