Spektraris NMR
Taxuyunnanine U
Common Name: Taxuyunnanine U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O12/c1-15-19(34)13-30(28(4,5)39)22(15)23(43-27(38)18-10-8-7-9-11-18)25(36)29(6)20(35)12-21(42-17(3)33)31(40,14-41-16(2)32)24(29)26(30)37/h7-11,19-21,23-26,34-37,39-40H,12-14H2,1-6H3/t19-,20-,21?,23?,24-,25-,26-,29+,30-,31-/m0/s1
InChIKey: XLDSSIRBXFIWJV-FYWURLBYSA-N
Formula: C31H42O12
Molecular Weight: 606.665
Exact Mass: 606.2676
NMR Solvent: CD3OD
MHz: 400MHz
Calibration:
NMR references: Li, Sheng-Hong, Hong-Jie Zhang, Xue-Mei Niu, Ping Yao, Han-Dong Sun, and Harry HS Fong. "Taxuyunnanines SV, 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 | 4.62 | d | 7.3 |
| 3 | 2.67 | d | 7.3 |
| 5 | 5.15 | br. s | |
| 6 | 1.92 | m | |
| 7 | 4.22 | t | 8 |
| 9 | 4.46 | d | 11.1 |
| 10 | 6.33 | d | 10.4 |
| 13 | 5.22 | t | 7.4 |
| 14a | 2.15 | dd | 7.1, 11.7 |
| 14b | 1.95 | m | |
| 16 | 1.38 | s | |
| 17 | 1.23 | s | |
| 18 | 1.88 | s | |
| 19 | 1.28 | s | |
| 20a | 4.76 | d | 12.1 |
| 20b | 5.49 | d | 12.6 |
| OAc | 2.15 | s | |
| OAc | 2.1 | s | |
| OBz | 8.02 | d | 7.4 |
| OBz | 7.58 | t | 7.2 |
| OBz | 7.46 | t | 7.5 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 69.7 |
| 2 | 70.1 |
| 3 | 45.3 |
| 4 | 77 |
| 5 | 72.3 |
| 6 | 33 |
| 7 | 70.6 |
| 8 | 44.4 |
| 9 | 79 |
| 10 | 72.7 |
| 11 | 137.5 |
| 12 | 150.3 |
| 13 | 77.3 |
| 14 | 39.3 |
| 15 | 77.6 |
| 16 | 27.4 |
| 17 | 27.8 |
| 18 | 11.9 |
| 19 | 15.1 |
| 20 | 66.3 |
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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.