Spektraris NMR
Clemochinenoside B
Common Name: Clemochinenoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O17/c1-38-14-6-11-4-5-13(14)43-28-23(34)21(32)20(31)18(44-28)10-42-26(36)12-7-15(39-2)25(16(8-12)40-3)41-9-17-19(30)22(33)24(35)29(45-17)46-27(11)37/h4-8,17-24,28-35H,9-10H2,1-3H3/t17-,18-,19-,20-,21+,22+,23-,24-,28-,29+/m1/s1
InChIKey: InChIKey=YVOXKOGHSFPOGN-AYSWLGJRSA-N
Formula: C29H34O17
Molecular Weight: 654.57121
Exact Mass: 654.1796
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) | 123.3 |
| 2 (CH) | 115.3 |
| 3 (C) | 149.7 |
| 4 (C) | 151.4 |
| 5 (CH) | 113 |
| 6 (CH) | 124.3 |
| 7 (C) | 166.2 |
| 1' (C) | 126.1 |
| 2' (CH) | 107.7 |
| 3' (C) | 153.3 |
| 4' (C) | 139.5 |
| 5' (C) | 154.7 |
| 6' (CH) | 108.5 |
| 7' (C) | 166 |
| 1'' (CH) | 101.5 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 75.4 |
| 6'' (CH2) | 65.5 |
| 1''' (CH) | 103.2 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78.9 |
| 4''' (CH) | 72.8 |
| 5''' (CH) | 75.7 |
| 6''' (CH2) | 66.2 |
| 3a (CH3) | 56.2 |
| 3'a (CH3) | 55.5 |
| 5'a (CH3) | 56.6 |
