Spektraris NMR
Aquoside C
Common Name: Aquoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H44O11/c1-11-8-14(9-25(4,5)15(11)7-6-12(2)26)35-24-22(32)20(30)18(28)16(36-24)10-33-23-21(31)19(29)17(27)13(3)34-23/h11,13-24,27-32H,6-10H2,1-5H3/t11-,13+,14-,15+,16-,17+,18-,19-,20+,21-,22-,23-,24-/m1/s1
InChIKey: InChIKey=XKYNOSKPNRIVGQ-GJRPEJLQSA-N
Formula: C25H44O11
Molecular Weight: 520.611245
Exact Mass: 520.288362
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yoshimitsu, H., Nishida, M., Nohara, T. Chem Pharm Bull (2008) 56, 1009-12
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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) | 35.5 |
| 2 (CH2) | 46.8 |
| 3 (CH) | 76.5 |
| 4 (CH2) | 40.8 |
| 5 (CH) | 30.2 |
| 6 (CH) | 54.2 |
| 7 (CH2) | 24.2 |
| 8 (CH2) | 46.5 |
| 9 (C) | 212.9 |
| 10 (CH3) | 30 |
| 11 (CH3) | 23.4 |
| 12 (CH3) | 32.1 |
| 13 (CH3) | 21.3 |
| 1' (CH) | 103.2 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.9 |
| 5' (CH) | 76.8 |
| 6' (CH2) | 68.5 |
| 1'' (CH) | 102.4 |
| 2'' (CH) | 72.2 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.2 |
