Spektraris NMR
4-Deacetyltaxagifin III
Common Name: 4-Deacetyltaxagifin III
Synonyms:
CAS Registry Number: 135962-71-9
InChI: InChI=1S/C22H32O10/c1-9(23)32-12-6-13-21(28,8-30-13)15-14(25)10-5-11(24)20(4)22(29,18(10,2)7-31-20)17(27)16(26)19(12,15)3/h10-15,17,24-25,27-29H,5-8H2,1-4H3
InChIKey: InChIKey=PPOAAMJIUQKYNN-UHFFFAOYSA-N
Formula: C22H32O10
Molecular Weight: 456.48
Exact Mass: 456.1995
NMR Solvent: CDCl3: pyridine-d6 (1:1)
MHz: 400.0
Calibration: TMS
NMR references: Zongping, Z., and Zhongjian, J. (1991). Taxanes from Taxus chinensis. Phytochemistry 30, 2345–2348.
Species: Taxus
Notes: Carbon NMR data not available.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1β | 2.16 | d | 9 |
| 2β | 4.38 | d | 11 |
| 3α | 2.76 | d | 11 |
| 5 | 4.3 | t | 3 |
| 6α | 1.68 | m | |
| 7α | 5.73 | dd | 11, 5.6 |
| 10α | 5.07 | s | |
| 13β | 4.74 | t | 8 |
| 14α | 2.49 | m | |
| 16 | 3.66 | d | 8 |
| 16' | 4.02 | d | 8 |
| 17 | 1.85 | s | |
| 18 | 1.44 | s | |
| 19 | 1.16 | s | |
| 20 | 4.61 | d | 10 |
| 20' | 4.77 | d | 10 |
| Ac | 1.94 | s |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.