Spektraris NMR
Hemerocalloside
Common Name: Hemerocalloside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H36O10/c1-11(2)21(6-4-12(3)5-7-21)31-18-16(25)15(24)14(23)13(30-18)8-28-19-17(26)20(27,9-22)10-29-19/h4,11,13-19,22-27H,5-10H2,1-3H3/t13-,14-,15+,16-,17-,18+,19-,20-,21-/m1/s1
InChIKey: InChIKey=GYNSVXPOEUJXIG-XZPGJIQJSA-N
Formula: C21H36O10
Molecular Weight: 448.50537
Exact Mass: 448.230847
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, Z.D., Chen, H., Li, Y.C. Helv Chim Acta (2003) 86, 3305-9
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 135.98 |
| 2 (CH) | 120.19 |
| 3 (CH2) | 32.25 |
| 4 (C) | 81.84 |
| 5 (CH2) | 30.75 |
| 6 (CH2) | 29.15 |
| 7 (CH3) | 23.95 |
| 8 (CH) | 35.82 |
| 9 (CH3) | 18.14 |
| 10 (CH3) | 18.38 |
| 1' (CH) | 99.3 |
| 2' (CH) | 76.83 |
| 3' (CH) | 78.75 |
| 4' (CH) | 72.45 |
| 5' (CH) | 76.03 |
| 6' (CH2) | 69.39 |
| 1'' (CH) | 111.43 |
| 2'' (CH) | 78.57 |
| 3'' (C) | 81.09 |
| 4'' (CH2) | 66.33 |
| 3''a (CH2) | 75.49 |
