Spektraris NMR
Procumbenoside D
Common Name: Procumbenoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H26O12/c1-33-15-4-3-11(5-16(15)34-2)20-12-6-17-18(37-10-36-17)7-13(12)25(14-9-35-26(32)21(14)20)39-27-24(31)23(30)22(29)19(8-28)38-27/h3-7,19,22-24,27-31H,8-10H2,1-2H3/t19-,22-,23+,24-,27+/m1/s1
InChIKey: InChIKey=DWJNGPRCFIKVDE-WBYCZGBQSA-N
Formula: C27H26O12
Molecular Weight: 542.489188
Exact Mass: 542.142426
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, G.R., Wu, J., Si, J.Y., Wang, J.M., Yang, M.H. Magn Reson Chem (2008) 46, 283-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 (C) | 135.9 |
| 2 (C) | 131.8 |
| 3 (CH) | 103.1 |
| 4 (C) | 149 |
| 5 (C) | 150.1 |
| 6 (CH) | 99.3 |
| 7 (C) | 145.6 |
| 8 (C) | 130.1 |
| 9 (CH2) | 67.9 |
| 1' (C) | 127.5 |
| 2' (CH) | 114.4 |
| 3' (C) | 148.6 |
| 4' (C) | 148.9 |
| 5' (CH) | 111.8 |
| 6' (CH) | 122.8 |
| 7' (C) | 128.4 |
| 8' (C) | 104.7 |
| 9' (C) | 169.6 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 74.2 |
| 3'' (CH) | 77.7 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 61.5 |
| 4a (CH2) | 102.7 |
| 3'a (CH3) | 55.9 |
| 4'a (CH3) | 56 |
