Spektraris NMR
Asperulosidic acid
Common Name: Asperulosidic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O12/c1-6(20)27-4-7-2-9(21)12-8(16(25)26)5-28-17(11(7)12)30-18-15(24)14(23)13(22)10(3-19)29-18/h2,5,9-15,17-19,21-24H,3-4H2,1H3,(H,25,26)/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChIKey: InChIKey=DGDWCRWJRNMRKX-DILZHRMZSA-N
Formula: C18H24O12
Molecular Weight: 432.376683
Exact Mass: 432.126776
NMR Solvent: CD3OD
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 : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 99.29 |
| 3 (CH) | 152.53 |
| 4 (C) | 107.79 |
| 5 (CH) | 40.75 |
| 6 (CH) | 73.32 |
| 7 (CH) | 131.89 |
| 8 (C) | 142.61 |
| 9 (CH) | 44.65 |
| 10 (CH2) | 62.01 |
| 11 (C) | 167.89 |
| 1' (CH) | 98.89 |
| 2' (CH) | 73.07 |
| 3' (CH) | 76.47 |
| 4' (CH) | 69.86 |
| 5' (CH) | 77.06 |
| 6' (CH2) | 60.98 |
| 10a (C) | 170 |
| 10b (CH3) | 20.63 |
