Spektraris NMR
Rediocide D
Common Name: Rediocide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24+,25-,26+,29+,30+,32-,33-,34+,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46?/m0/s1
InChIKey: InChIKey=GBKHBDSGKZALFY-AYTFVSIXSA-N
Formula: C46H54O13
Molecular Weight: 814.914916
Exact Mass: 814.356442
NMR Solvent:
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) | 37.7 |
| 2 (CH) | 36.4 |
| 3 (CH) | 83.7 |
| 4 (C) | 82.4 |
| 5 (CH) | 74.5 |
| 6 (C) | 60.8 |
| 7 (CH) | 69.4 |
| 8 (CH) | 36.4 |
| 9 (C) | 78.4 |
| 10 (CH) | 47.4 |
| 11 (CH) | 38.4 |
| 12 (CH) | 86.1 |
| 13 (C) | 73.4 |
| 14 (CH) | 81.3 |
| 15 (C) | 77.9 |
| 16 (CH2) | 43.8 |
| 17 (CH3) | 28.9 |
| 18 (CH3) | 20 |
| 19 (CH3) | 13.6 |
| 20 (CH3) | 23.2 |
| 1' (C) | 166.7 |
| 2' (CH) | 128.8 |
| 3' (CH) | 141.1 |
| 4' (CH) | 58.2 |
| 5' (CH) | 60.4 |
| 6' (CH) | 80.1 |
| 7' (CH) | 37.7 |
| 8' (CH2) | 30.8 |
| 9' (CH2) | 31.9 |
| 10' (CH) | 37 |
| 11' (CH2) | 34.6 |
| 12' (CH2) | 33.5 |
| 9a (C) | 108.9 |
| 9b (C) | 139.8 |
| 9c (CH) | 126.3 |
| 9d (CH) | 129.7 |
| 9e (CH) | 129.1 |
| 9f (CH) | 129.7 |
| 9g (CH) | 126.3 |
| 6'a (C) | 166.7 |
| 6'b (C) | 129.6 |
| 6'c (CH) | 130.4 |
| 6'd (CH) | 130.1 |
| 6'e (CH) | 134.3 |
| 6'f (CH) | 130.1 |
| 6'g (CH) | 130.4 |
