Spektraris NMR
Alangicadinoside F
Common Name: Alangicadinoside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O12/c1-10-4-5-13(12(3)7-27)14-6-11(2)24(20(31)17(10)14)38-26-23(34)21(32)19(30)16(37-26)9-36-25-22(33)18(29)15(28)8-35-25/h6,10,12-13,15-16,18-19,21-23,25-34H,4-5,7-9H2,1-3H3/t10?,12-,13+,15+,16+,18-,19+,21-,22+,23+,25-,26-/m0/s1
InChIKey: InChIKey=XJVQGOKRTPWSGD-LVBORPRGSA-N
Formula: C26H40O12
Molecular Weight: 544.589623
Exact Mass: 544.251977
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kijima, K., Otsuka, H., Ide, T., Ogimi, C., Hirata, E., Takushi, A., Takeda, Y. Phytochemistry (1998) 48, 669-76
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Calamenenes; 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) | 129.5 |
| 2 (C) | 147.8 |
| 3 (C) | 143.4 |
| 4 (C) | 129.5 |
| 5 (CH) | 123.3 |
| 6 (C) | 136.8 |
| 7 (CH) | 40.8 |
| 8 (CH2) | 21.3 |
| 9 (CH2) | 28 |
| 10 (CH) | 28.2 |
| 11 (CH) | 43.2 |
| 12 (CH2) | 66.4 |
| 13 (CH3) | 17.1 |
| 14 (CH3) | 17.1 |
| 15 (CH3) | 21.6 |
| 1' (CH) | 107.8 |
| 2' (CH) | 75.4 |
| 3' (CH) | 77.9 |
| 4' (CH) | 71.2 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 70.1 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 75 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 71.2 |
| 5'' (CH2) | 66.9 |
