Spektraris NMR
7β-Xylosyl-10-deacetyltaxol D
Common Name: 7β-Xylosyl-10-deacetyltaxol D
Synonyms: 7-(β-xylosyl)-10-deacetyltaxol D
CAS Registry Number: 172486-23-6
InChI: InChI=1S/C47H59NO17/c1-7-14-31(51)48-33(25-15-10-8-11-16-25)36(54)42(58)62-28-20-47(59)40(64-41(57)26-17-12-9-13-18-26)38-45(6,39(56)35(53)32(23(28)2)44(47,4)5)29(19-30-46(38,22-61-30)65-24(3)49)63-43-37(55)34(52)27(50)21-60-43/h8-13,15-18,27-30,33-38,40,43,50,52-55,59H,7,14,19-22H2,1-6H3,(H,48,51)/t27-,28+,29+,30-,33+,34+,35-,36-,37-,38+,40+,43+,45-,46+,47-/m1/s1
InChIKey: InChIKey=CWZWURFOXDKAEB-OVSVXCLTSA-N
Formula: C47H59N1O17
Molecular Weight: 909.97
Exact Mass: 909.3783
NMR Solvent: CD3OD
MHz: 600.0
Calibration: TMS
NMR references: Guo, Y., Diallo, B., Jaziri, M., Vanhaelen-Fastré, R., Vanhaelen, M., and Ottinger, R. (1995). Two New Taxoids from the Stem Bark of Taxus baccata. J. Nat. Prod. 58, 1906–1912.
Species: Taxus
Notes: Relative stereochemistry not reported for protons at positions 6 and 14.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.63 | d | 7.1 |
| 3 | 3.88 | d | 7 |
| 5 | 4.97 | d | 7.9 |
| 6 | 1.91 | m | |
| 6 | 2.67 | m | |
| 7 | 4.19 | m | |
| 10 | 5.37 | s | |
| 13 | 6.15 | t | 8.2 |
| 14 | 2.06 | m | |
| 14 | 2.23 | m | |
| 16 | 1.18 | s | |
| 17 | 1.13 | s | |
| 18 | 1.91 | s | |
| 19 | 1.75 | s | |
| 20 | 4.19 | m | |
| OAc | 2.33 | s | |
| 2' | 4.58 | d | 4.6 |
| 3' | 5.46 | d | 4.6 |
| 5' | 2.26 | t | 6.5 |
| 6' | 1.62 | m | |
| 7' | 0.92 | t | 7.3 |
| 1" | 4.09 | d | 7.4 |
| 2" | 3.04 | m | |
| 3" | 3.25 | t | 9.1 |
| 4" | 3.42 | m | |
| 5"eq | 3.8 | m | |
| 5"ax | 3.17 | m | |
| 2-COPh | 8.09 | dd | 7, 1.5 |
| 2-COPh | 7.66 | t | 7.3 |
| 2-COPh | 7.55 | t | 7 |
| 3'-Ph | 7.4 | m | |
| 3'-Ph | 7.27 | m |
