Spektraris NMR
Rediocide B
Common Name: Rediocide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H60O12/c1-24(2)19-20-51-30-13-9-10-14-32(46)52-34-25(3)21-31-41(34,49)38(47)40(23-45)36(53-40)33-37-43(50,39(5,48)22-27-15-17-28(30)18-16-27)35-26(4)42(31,33)56-44(54-35,55-37)29-11-7-6-8-12-29/h6-14,24-28,30-31,33-38,45,47-50H,15-23H2,1-5H3/b13-9-,14-10+/t25-,26+,27-,28+,30?,31+,33-,34-,35-,36?,37+,38?,39?,40?,41?,42-,43?,44?/m0/s1
InChIKey: InChIKey=CYJUUZYXPWYXGV-MPJJSUGVSA-N
Formula: C44H60O12
Molecular Weight: 780.941684
Exact Mass: 780.408477
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) | 35.7 |
| 2 (CH) | 35.7 |
| 3 (CH) | 81.6 |
| 4 (C) | 81.3 |
| 5 (CH) | 73.2 |
| 6 (C) | 61 |
| 7 (CH) | 65.2 |
| 8 (CH) | 35.7 |
| 9 (C) | 81.3 |
| 10 (CH) | 47.4 |
| 11 (CH) | 38.1 |
| 12 (CH) | 84.8 |
| 13 (C) | 72.3 |
| 14 (CH) | 80.4 |
| 15 (C) | 77.7 |
| 16 (CH2) | 42.9 |
| 17 (CH3) | 29.9 |
| 18 (CH3) | 19.8 |
| 19 (CH3) | 13.2 |
| 20 (CH2) | 65.5 |
| 1' (C) | 166.9 |
| 2' (CH) | 123.3 |
| 3' (CH) | 138.4 |
| 4' (CH) | 129.3 |
| 5' (CH) | 136.9 |
| 6' (CH) | 73.2 |
| 7' (CH) | 36.3 |
| 8' (CH2) | 30.6 |
| 9' (CH2) | 32 |
| 10' (CH) | 36.3 |
| 11' (CH2) | 34.7 |
| 12' (CH2) | 32.7 |
| 9a (C) | 108.7 |
| 9b (C) | 138.6 |
| 9c (CH) | 125.1 |
| 9d (CH) | 128.1 |
| 9e (CH) | 129.3 |
| 9f (CH) | 128.2 |
| 9g (CH) | 125.1 |
| 6'a (CH2) | 172.6 |
| 6'b (CH2) | 43.8 |
| 6'c (CH) | 25.8 |
| 6'd (CH3) | 22.4 |
| 6'e (CH3) | 22.5 |
