Spektraris NMR
Taxuspine K
Common Name: Taxuspine K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O11/c1-12-19(36-13(2)29)10-28(34)24-22-17(11-35-24)18(33)9-20(37-14(3)30)27(22,8)25(39-16(5)32)23(38-15(4)31)21(12)26(28,6)7/h17-20,22-25,33-34H,9-11H2,1-8H3/t17-,18-,19?,20?,22+,23?,24+,25?,27-,28-/m1/s1
InChIKey: LTYIYUVTLGFDNG-GLELAOIMSA-N
Formula: C30H42O13
Molecular Weight: 610.6466
Exact Mass: 610.2595
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: Xiao-xia Wang, Hideyuki Shigemori, Jun'ichi Kobayashi. Taxuspines K, L, and M, new taxoids from Japanese yew Taxus cuspidata, Tetrahedron. Volume 52, Issue 7, 1996, Pages 2337-2342, https://doi.org/10.1016/0040-4020(95)01074-2.
Species: Taxus Cuspidata
Notes: Could not find what they used for calibrating the NMR, or the MHz it was run at.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 4.26 | d | 7 |
| 3 | 2.81 | d | 7 |
| 5 | 4.36 | m | |
| 6a | 2.05 | m | |
| 6b | 1.76 | m | |
| 7 | 5.11 | dd | 44139 |
| 9 | 5.18 | d | 4.5 |
| 10 | 6.05 | d | 4.5 |
| 13 | 6.02 | t | |
| 14a | 2.4 | m | |
| 14b | 2.32 | m | |
| 16 | 1.51 | s | 8 |
| 17 | 1.18 | s | |
| 18 | 1.8 | s | |
| 19 | 1.45 | s | |
| 20a | 3.71 | d | 11.7 |
| 20b | 4.34 | d | 11.7 |
| 4-AcO | 2.14 | s | |
| 7-AcO | 2.11 | s | |
| 9-AcO | 2.06 | s | |
| 10-AcO | 2.03 | s | |
| 13-AcO | 2.1 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 76.27 |
| 2 | 85.04 |
| 3 | 50.33 |
| 4 | 96.4 |
| 5 | 70.01 |
| 6a | 21.21 |
| 7 | 70.65 |
| 8 | 43.77 |
| 9 | 77.57 |
| 10 | 73.4 |
| 11 | 134.44 |
| 12 | 136.67 |
| 13 | 71.43 |
| 14a | 35.97 |
| 15 | 42.6 |
| 16 | 22.97 |
| 17 | 27.58 |
| 18 | 17.6 |
| 19 | 15.61 |
| 20a | 69.97 |
