Spektraris NMR
Fukinoside-A-potassium
Common Name: Fukinoside-A-potassium
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O10S/c1-10(2)14-8-21(4)11(3)5-13(6-12(21)7-15(14)22)30-20-19(25)18(24)17(23)16(31-20)9-29-32(26,27)28/h11-13,16-20,23-25H,5-9H2,1-4H3,(H,26,27,28)/t11-,12+,13+,16+,17+,18-,19+,20+,21+/m0/s1
InChIKey: InChIKey=VLKNIRVEAIACHQ-TVQNZXITSA-N
Formula: C21H34O10S1
Molecular Weight: 478.555573
Exact Mass: 478.187268
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Morikawa, T., Tanaka, J., Shimoda, H. Heterocycles (2006) 68, 2335-42
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 35 |
| 2 (CH) | 75 |
| 3 (CH2) | 37.1 |
| 4 (CH) | 31.9 |
| 5 (C) | 37.6 |
| 6 (CH2) | 41.2 |
| 7 (C) | 131.8 |
| 8 (C) | 207.7 |
| 9 (CH2) | 45.3 |
| 10 (CH) | 43.9 |
| 11 (C) | 142 |
| 12 (CH3) | 22.7 |
| 13 (CH3) | 21.9 |
| 14 (CH3) | 21.1 |
| 15 (CH3) | 16.7 |
| 1' (CH) | 102.5 |
| 2' (CH) | 74.9 |
| 3' (CH) | 77.7 |
| 4' (CH) | 71.4 |
| 5' (CH) | 75.7 |
| 6' (CH2) | 68.2 |
