Spektraris NMR
Aquoside A
Common Name: Aquoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H44O8/c1-6-22(2,31)10-7-17-23(3)11-9-18(28)24(4,14-26)16(23)8-12-25(17,5)33-21-20(30)19(29)15(27)13-32-21/h6,15-21,26-31H,1,7-14H2,2-5H3/t15-,16+,17+,18-,19-,20+,21-,22+,23-,24-,25+/m0/s1
InChIKey: InChIKey=DDBFXHRHQKHBNN-JLBBAOFQSA-N
Formula: C25H44O8
Molecular Weight: 472.61303
Exact Mass: 472.303618
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yoshimitsu, H., Nishida, M., Nohara, T. Chem Pharm Bull (2008) 56, 1009-12
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 37.7 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 74.3 |
| 4 (C) | 41.7 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 39.2 |
| 8 (C) | 82.1 |
| 9 (CH) | 59.5 |
| 10 (C) | 38.7 |
| 11 (CH2) | 19 |
| 12 (CH2) | 44.3 |
| 13 (C) | 73.1 |
| 14 (CH) | 146 |
| 15 (CH2) | 110.7 |
| 16 (CH3) | 25.2 |
| 17 (CH3) | 20.9 |
| 18 (CH2) | 68.9 |
| 19 (CH3) | 11.3 |
| 20 (CH3) | 15.9 |
| 1' (CH) | 96.1 |
| 2' (CH) | 71.1 |
| 3' (CH) | 72.8 |
| 4' (CH) | 67.6 |
| 5' (CH2) | 64.8 |
