Spektraris NMR
Rediocide G
Common Name: Rediocide G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11+/t25-,26+,27-,28+,31+,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46?/m0/s1
InChIKey: InChIKey=VAEBJJRRTFBWLJ-DSWAHTIPSA-N
Formula: C46H54O13
Molecular Weight: 814.914916
Exact Mass: 814.356442
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tempeam, A., Thasana, N., Pavaro, C., Chuakul, W., Siripong, P., Ruchirawat, S. Chem Pharm Bull (2005) 53, 1321-3
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) | 35.3 |
| 2 (CH) | 35.4 |
| 3 (CH) | 80.3 |
| 4 (C) | 80.9 |
| 5 (CH) | 70.6 |
| 6 (C) | 62 |
| 7 (CH) | 64 |
| 8 (CH) | 35.1 |
| 9 (C) | 76.9 |
| 10 (CH) | 46.2 |
| 11 (CH) | 37 |
| 12 (CH) | 84.6 |
| 13 (C) | 72 |
| 14 (CH) | 80.1 |
| 15 (C) | 76 |
| 16 (CH2) | 42.9 |
| 17 (CH3) | 28.1 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 13.4 |
| 20 (CH2) | 63.2 |
| 1' (C) | 164.8 |
| 2' (CH) | 124.9 |
| 3' (CH) | 136.6 |
| 4' (CH) | 129.6 |
| 5' (CH) | 135.3 |
| 6' (CH) | 78.1 |
| 7' (CH) | 36.2 |
| 8' (CH2) | 29.9 |
| 9' (CH2) | 31.2 |
| 10' (CH) | 35.7 |
| 11' (CH2) | 33.3 |
| 12' (CH2) | 32.4 |
| 9a (C) | 107.6 |
| 9b (C) | 139.2 |
| 9c (CH) | 125.2 |
| 9d (CH) | 127.5 |
| 9e (CH) | 128.7 |
| 9f (CH) | 127.5 |
| 9g (CH) | 125.2 |
| 6'b (C) | 165.2 |
| 6'c (C) | 129.5 |
| 6'd (CH) | 129.1 |
| 6'e (CH) | 128.7 |
| 6'f (CH) | 133.4 |
| 6'g (CH) | 128.7 |
| 6'h (CH) | 129.1 |
