Spektraris NMR
3`-hydroxypsilotin
Common Name: 3`-hydroxypsilotin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-5-4-8(6-9(11)19)10-2-1-3-13(20)24-10/h1,3-6,10,12,14-19,21-23H,2,7H2
InChIKey: InChIKey=ANUPXNGYFANTHY-UHFFFAOYSA-N
Formula: C17H20O9
Molecular Weight: 368.3353
Exact Mass: 368.110735
NMR Solvent: CD3OD, 1,4-dioxane
MHz: 400 (1H), 100.6 (13C)
Calibration:
NMR references: Balza F., Muir A.D., and Towers G.H.N. (1985) 3'-hydroxypsilotin, a minor phenolic glycoside from Psilotum nudum. Phytochemistry 24(3), 529-531.
Species: Psilotum nudum (aeiral shoots)- Balza F., Muir A.D., and Towers G.H.N. (1985) 3'-hydroxypsilotin, a minor phenolic glycoside from Psilotum nudum. Phytochemistry 24(3), 529-531.
Notes: Multiplets at 3.45 ppm were reported in literature as 3.35-3.55.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 5' (1H) | 7.21 | d | 8.5 |
| 4 (1H) | 7.1 | m | |
| 2' (1H) | 6.96 | d | 2.5 |
| 6' (1H) | 6.87 | dd | 8.5, 2.5 |
| 3 (1H) | 6.08 | ddd | 10, 2.5, 1 |
| 6 (1H) | 5.42 | dd | 10, 6 |
| 1' | 4.9 | br | |
| OH | 4.9 | br | |
| 6s (1H) | 3.9 | dd | 12, 2 |
| 6R (1H) | 3.72 | dd | 12, 4.5 |
| (4H) | 3.45 | m | |
| 5 (2H) | 2.64 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 | 169.1 |
| 4 | 150.6 |
| 3' | 147.3 |
| 4' | 146.4 |
| 1' | 135.5 |
| 5' | 120.8 |
| 6' | 120.5 |
| 2' | 118.5 |
| 3 | 116.2 |
| 1" | 102.8 |
| 6 | 81.2 |
| 3" | 77.7 |
| 5" | 77.1 |
| 2" | 74.4 |
| 4" | 71 |
| 1, 4-d | 68.1 |
| 6" | 62.1 |
| 5 | 31.8 |
