Spektraris NMR
Rediocide E
Common Name: Rediocide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H56O13/c1-22(2)19-32(46)51-28-13-9-10-14-31(45)52-30-18-17-29-40(30,49)37(47)39(21-44)35(53-39)33-36-42(50,38(5,48)20-25-15-16-27(28)23(25)3)34-24(4)41(29,33)56-43(54-34,55-36)26-11-7-6-8-12-26/h6-14,22-25,27-30,33-37,44,47-50H,15-21H2,1-5H3/b13-9-,14-10+/t23-,24+,25+,27-,28+,29+,30-,33-,34-,35-,36+,37+,38+,39-,40+,41-,42-,43?/m0/s1
InChIKey: InChIKey=RTYNTVIIQWLHDN-WEIUGTSISA-N
Formula: C43H56O13
Molecular Weight: 780.89859
Exact Mass: 780.372092
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) | 29.3 |
| 2 (CH2) | 29 |
| 3 (CH) | 80.7 |
| 4 (C) | 82.1 |
| 5 (CH) | 73.1 |
| 6 (C) | 60.4 |
| 7 (CH) | 64.1 |
| 8 (CH) | 37.6 |
| 9 (C) | 78 |
| 10 (CH) | 48.7 |
| 11 (CH) | 37.6 |
| 12 (CH) | 84.5 |
| 13 (C) | 71.6 |
| 14 (CH) | 80.7 |
| 15 (C) | 78 |
| 16 (CH2) | 36.4 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 18.5 |
| 20 (CH2) | 64.6 |
| 1' (C) | 168.8 |
| 2' (CH) | 124.5 |
| 3' (CH) | 139.1 |
| 4' (CH) | 130.3 |
| 5' (CH) | 136.7 |
| 6' (CH) | 72.9 |
| 7' (CH) | 51.1 |
| 8' (CH2) | 27.1 |
| 9' (CH2) | 31.6 |
| 10' (CH) | 40.5 |
| 11' (CH) | 37.6 |
| 12' (CH3) | 16.8 |
| 9a (C) | 108.8 |
| 9b (C) | 138.7 |
| 9c (CH) | 125.1 |
| 9d (CH) | 128.1 |
| 9e (CH) | 129.3 |
| 9f (CH) | 128.1 |
| 9g (CH) | 125.1 |
| 6'a (C) | 172.4 |
| 6'b (CH2) | 43.8 |
| 6'c (CH) | 25.9 |
| 6'd (CH3) | 22.3 |
| 6'e (CH3) | 22.4 |
