Spektraris NMR
Taxuyunnanine T
Common Name: Taxuyunnanine T
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O11/c1-10-13(27)8-23(21(4,5)32)16(10)17(29)19(30)22(6)14(28)7-15(35-12(3)26)24(33,9-34-11(2)25)18(22)20(23)31/h13-15,17-20,27-33H,7-9H2,1-6H3/t13-,14-,15?,17+,18-,19-,20-,22+,23-,24-/m0/s1
InChIKey: LEVXPEGBYHJFIK-IGRCPSJGSA-N
Formula: C24H38O11
Molecular Weight: 502.2414
Exact Mass: 502.557
NMR Solvent: pyridine-d5
MHz: 500MHz
Calibration:
NMR references: Li, Sheng-Hong, Hong-Jie Zhang, Xue-Mei Niu, Ping Yao, Han-Dong Sun, and Harry HS Fong. "Taxuyunnanines S-V, new taxoids from Taxus yunnanensis." Planta medica 68, no. 03 (2002): 253-257.
Species: bark of Taxus yunnanensis
Notes: calibration unknown
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.18 | d | 8 |
| 3 | 3.39 | d | 7 |
| 5 | 5.77 | br. s | |
| 6 | 2.36 | m | |
| 7 | 4.66 | dd | 6.2, 9.8 |
| 9 | 4.77 | d | 9.6 |
| 10 | 5.15 | d | 9 |
| 13 | 5.03 | t | 6.9 |
| 14a | 2.74 | dd | 7.1, 13.9 |
| 14b | 2.39 | dd | 7.1, 13.8 |
| 16 | 1.75 | s | |
| 17 | 1.41 | s | |
| 18 | 2.2 | s | |
| 19 | 1.63 | s | |
| 20a | 5.39 | ABd | 11.8 |
| 20b | 4.8 | ABd | 11.8 |
| OAc | 2.31 | s | |
| OAc | 1.88 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 69.9 |
| 2 | 69.4 |
| 3 | 44.8 |
| 4 | 76.6 |
| 5 | 71.8 |
| 6 | 33.2 |
| 7 | 70.1 |
| 8 | 44 |
| 9 | 81.7 |
| 10 | 69.9 |
| 11 | 140 |
| 12 | 144.9 |
| 13 | 77.2 |
| 14 | 39.4 |
| 15 | 76.6 |
| 16 | 27.2 |
| 17 | 28.7 |
| 18 | 11.8 |
| 19 | 15.8 |
| 20 | 66.1 |
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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.