Spektraris NMR
Clemochinenoside A
Common Name: Clemochinenoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O18/c1-39-13-5-11-6-14(40-2)25(13)43-9-17-19(31)22(34)24(36)30(46-17)48-28(38)12-7-15(41-3)26(16(8-12)42-4)47-29-23(35)21(33)20(32)18(45-29)10-44-27(11)37/h5-8,17-24,29-36H,9-10H2,1-4H3/t17-,18-,19-,20-,21+,22+,23-,24-,29+,30+/m1/s1
InChIKey: InChIKey=FPZIDVNZIBJGLL-UUANRDTJSA-N
Formula: C30H36O18
Molecular Weight: 684.597233
Exact Mass: 684.190164
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Su, D.M., Wang, Y.H., Yu, S.S., Yu, D.Q., Hu, Y.C., Tang, W.Z., Liu, G.T., Wang, W.J. Chem Biodivers (2007) 4, 2852-62
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylmethanoids; 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) | 124.5 |
| 2 (CH) | 106.5 |
| 3 (C) | 151.5 |
| 4 (C) | 137.5 |
| 5 (C) | 153 |
| 6 (CH) | 106.5 |
| 7 (C) | 164.6 |
| 1' (C) | 124.5 |
| 2' (CH) | 106.5 |
| 3' (C) | 151.5 |
| 4' (C) | 137.5 |
| 5' (C) | 153 |
| 6' (CH) | 106.5 |
| 7' (C) | 164.6 |
| 1'' (CH) | 101.2 |
| 2'' (CH) | 73.6 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 73.7 |
| 6'' (CH2) | 64.3 |
| 1''' (CH) | 101.2 |
| 2''' (CH) | 73.6 |
| 3''' (CH) | 76.6 |
| 4''' (CH) | 71.4 |
| 5''' (CH) | 73.7 |
| 6''' (CH2) | 64.3 |
| 3a (CH3) | 56.2 |
| 5a (CH3) | 56.8 |
| 3'a (CH3) | 56.2 |
| 5'a (CH3) | 56.8 |
