Spektraris NMR
Taxuspine Q
Common Name: Taxuspine Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O13/c1-11-15(2)29(39)45-25-24-16(3)21(38)13-32(24,30(8,9)40)28(44-19(6)36)26-31(10,27(25)43-18(5)35)22(42-17(4)34)12-23-33(26,14-41-23)46-20(7)37/h11,21-23,25-28,38,40H,12-14H2,1-10H3/b15-11+/t21-,22?,23+,25+,26-,27?,28?,31+,32-,33?/m0/s1
InChIKey: WZIKPCCWYGZOKS-QJKVVQRVSA-N
Formula: C33H46O13
Molecular Weight: 650.2937
Exact Mass: 650.2921
NMR Solvent: CHCl3
MHz: 500 (1H); 125 (13C)
Calibration: TMS
NMR references: Wang, X., Shigemori, H., and Kobayashi, J. (1996). Taxuspines Q, R, S, and T, new taxoids from Japanese yew Taxus cuspidata. Tetrahedron 52, 12159–12164.
Species: Taxus cuspidata- collected from Sapporo, Hokkaido
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.05 | d | 8.1 |
| 3 | 3.12 | d | 8.1 |
| 5 | 4.91 | d | 7.2 |
| 6a | 1.86 | m | |
| 6b | 2.51 | m | |
| 7 | 5.47 | t | 8 |
| 9 | 6.01 | d | 10.3 |
| 10 | 6.35 | d | 10.3 |
| 13 | 4.45 | m | |
| 14a | 1.6 | d | 11.8 |
| 14b | 2.25 | m | |
| 15-OH | 2.76 | s | |
| 16 | 1.12 | s | |
| 17 | 1.05 | s | |
| 18 | 2.01 | s | |
| 19 | 1.75 | s | |
| 20a | 4.39 | d | 7.6 |
| 20b | 4.52 | d | 7.6 |
| 3' | 6.71 | q | 7 |
| 4' | 1.76 | d | 7 |
| 5' | 1.73 | s | |
| 2-AcO | 2.1 | s | |
| 4-AcO | 2.18 | s | |
| 7-AcO | 1.91 | s | |
| 9-AcO | 2.01 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 67.5 |
| 2 | 68.1 |
| 3 | 44.51 |
| 4 | 80.9 |
| 5 | 85.1 |
| 6 | 34.99 |
| 7 | 70.01 |
| 8 | 46.5 |
| 9 | 77.51 |
| 10 | 68.5 |
| 11 | 135.11 |
| 12 | 151.05 |
| 13 | 78 |
| 14 | 39.51 |
| 15 | 76.01 |
| 16 | 25.01 |
| 17 | 27.52 |
| 18 | 12.2 |
| 19 | 13.11 |
| 20 | 75.1 |
| 1' | 165.57 |
| 2' | 126.12 |
| 3' | 138.91 |
| 4' | 12.24 |
| 5' | 14.55 |
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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.