Spektraris NMR
Damnacanthol-3-O-β-D-primeveroside
Common Name: Damnacanthol-3-O-β-D-primeveroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H30O14/c1-37-25-13(7-28)15(6-12-17(25)19(31)11-5-3-2-4-10(11)18(12)30)40-27-24(36)22(34)21(33)16(41-27)9-39-26-23(35)20(32)14(29)8-38-26/h2-6,14,16,20-24,26-29,32-36H,7-9H2,1H3/t14-,16-,20+,21-,22+,23-,24-,26+,27-/m1/s1
InChIKey: InChIKey=XXKWBXGHSBIVHQ-ALLCIABXSA-N
Formula: C27H30O14
Molecular Weight: 578.519761
Exact Mass: 578.163556
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Li, B., Zhang, D.M., Luo, Y.M., Chen, X.G. Chem Pharm Bull (2006) 54, 297-300
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 160.65 |
| 2 (C) | 131.61 |
| 3 (C) | 160.71 |
| 4 (CH) | 109.16 |
| 4a (C) | 135.73 |
| 5 (CH) | 126.28 |
| 6 (CH) | 133.62 |
| 7 (CH) | 134.67 |
| 8 (CH) | 126.69 |
| 8a (C) | 134.36 |
| 9 (C) | 180.42 |
| 9a (C) | 120.5 |
| 10 (C) | 182.15 |
| 10a (C) | 132.07 |
| 1' (CH) | 100.96 |
| 2' (CH) | 73.23 |
| 3' (CH) | 75.85 |
| 4' (CH) | 69.47 |
| 5' (CH) | 76.38 |
| 6' (CH2) | 68.02 |
| 1'' (CH) | 104.05 |
| 2'' (CH) | 73.28 |
| 3'' (CH) | 75.69 |
| 4'' (CH) | 69.18 |
| 5'' (CH2) | 65.62 |
| 1a (CH3) | 62.71 |
| 2a (CH2) | 51.92 |
