Spektraris NMR
Melittoside
Common Name: Melittoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O15/c22-4-7-3-10(25)21(36-20-17(31)15(29)13(27)9(6-24)34-20)1-2-32-18(11(7)21)35-19-16(30)14(28)12(26)8(5-23)33-19/h1-3,8-20,22-31H,4-6H2/t8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18+,19+,20+,21-/m1/s1
InChIKey: InChIKey=LZKBAGSBRBMVBE-GVKBFFPQSA-N
Formula: C21H32O15
Molecular Weight: 524.470632
Exact Mass: 524.17412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Chumsri, P., Hiraga, Y., Yamasaki, K. Phytochemistry (2001) 58, 333-6
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) | 94.2 |
| 3 (CH) | 143.4 |
| 4 (CH) | 105.2 |
| 5 (C) | 80 |
| 6 (CH) | 79.9 |
| 7 (CH) | 128.1 |
| 8 (C) | 147.3 |
| 9 (CH) | 51.5 |
| 10 (CH2) | 60.9 |
| 1' (CH) | 98.1 |
| 2' (CH) | 74.8 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 32.7 |
| 1'' (CH) | 99.6 |
| 2'' (CH) | 75.1 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 70.8 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 62.1 |
