Spektraris NMR
Rediocide C
Common Name: Rediocide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11-,18-12+/t24-,25-,26+,28+,30-,31+,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46?/m0/s1
InChIKey: InChIKey=ZDIWBBJUVBDSOV-DFCSBRLQSA-N
Formula: C46H54O13
Molecular Weight: 814.914916
Exact Mass: 814.356442
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jayasuriya, H., Zink, D.L., Borris, R.P., Nanakorn, W., Beck, H.T., Balick, M.J., Goetz, M.A., Gregory, L., Shoop, W.L., Singh, S.B. J Nat Prod (2004) 67, 228-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Daphnanes; 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) | 36.4 |
| 2 (CH) | 35.4 |
| 3 (CH) | 82.2 |
| 4 (C) | 82.6 |
| 5 (CH) | 73.2 |
| 6 (C) | 60.4 |
| 7 (CH) | 64.7 |
| 8 (CH) | 35.7 |
| 9 (C) | 78.1 |
| 10 (CH) | 48.5 |
| 11 (CH) | 36.9 |
| 12 (CH) | 84.4 |
| 13 (C) | 71.7 |
| 14 (CH) | 80.6 |
| 15 (C) | 76.3 |
| 16 (CH2) | 36.4 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 18.6 |
| 19 (CH3) | 13.4 |
| 20 (CH2) | 64.7 |
| 1' (C) | 169 |
| 2' (CH) | 124.8 |
| 3' (CH) | 138.9 |
| 4' (CH) | 130.3 |
| 5' (CH) | 136.6 |
| 6' (CH) | 73.8 |
| 7' (CH) | 51.4 |
| 8' (CH2) | 27.3 |
| 9' (CH2) | 31.7 |
| 10' (CH) | 40.6 |
| 11' (CH) | 37.7 |
| 12' (CH3) | 17 |
| 9a (C) | 108.8 |
| 9b (C) | 138.7 |
| 9c (CH) | 125.1 |
| 9d (CH) | 128.2 |
| 9e (CH) | 129.3 |
| 9f (CH) | 128.2 |
| 9g (CH) | 125.1 |
| 6'a (C) | 165.7 |
| 6'b (C) | 133 |
| 6'c (CH) | 128.4 |
| 6'd (CH) | 129.6 |
| 6'e (CH) | 130.6 |
| 6'f (CH) | 129.6 |
| 6'g (CH) | 128.4 |
