Spektraris NMR
Asperuloside
Common Name: Asperuloside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1
InChIKey: InChIKey=IBIPGYWNOBGEMH-DILZHRMZSA-N
Formula: C18H22O11
Molecular Weight: 414.361397
Exact Mass: 414.116212
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) | 99.08 |
| 3 (CH) | 149.34 |
| 4 (C) | 105.25 |
| 5 (CH) | 36.37 |
| 6 (CH) | 84.73 |
| 7 (CH) | 127.75 |
| 8 (C) | 143.29 |
| 9 (CH) | 44.18 |
| 10 (CH2) | 61.12 |
| 11 (C) | 170.18 |
| 1' (CH) | 99.08 |
| 2' (CH) | 73.67 |
| 3' (CH) | 77.07 |
| 4' (CH) | 70.69 |
| 5' (CH) | 77.95 |
| 6' (CH2) | 61.79 |
| 10a (C) | 170.63 |
| 10b (CH3) | 21.22 |
