Spektraris NMR
5α-Hydroxy-2α,10β-diacetoxy-4(20),11-taxadiene
Common Name: 5α-Hydroxy-2α,10β-diacetoxy-4(20),11-taxadiene
Synonyms: 2α,10β-Diacetoxy-5α-hydroxytaxa-4(20),11(12)-diene
CAS Registry Number: 464169-56-0
InChI: InChI=1S/C24H36O5/c1-13-8-9-17-22(29-16(4)26)21-14(2)18(27)10-11-24(21,7)12-19(28-15(3)25)20(13)23(17,5)6/h17-19,21-22,27H,2,8-12H2,1,3-7H3/t17-,18-,19-,21-,22+,24-/m0/s1
InChIKey: InChIKey=NLBZBKRWTPENNJ-BVWKLLKYSA-N
Formula: C24H36O5
Molecular Weight: 404.54
Exact Mass: 404.256275
NMR Solvent: CDCl3
MHz: 500.0
Calibration: TMS
NMR references: Zhang, M., Yin, D., Guo, J.-Y., and Liang, X.-T. (2005). Synthesis of 7,9-dideoxybaccatin IV analogs from sinenxan A. Tetrahedron 61, 5519–5527.
Species: Taxus
Notes: Relative stereochemistry not reported in literature. Multiplets in literature reported as ppm ranges we report at center of peak. Overlap between acetate signals and methyl at position 18 poorly noted in literature.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.72 | m | |
| 2 | 5.38 | d | 6 |
| 3 | 3.35 | d | 6 |
| 5 | 4.2 | br s | |
| 6 | 1.72 | m | |
| 7 | 2.12 | m | |
| 7 | 1.67 | m | |
| 9 | 1.59 | dd | 15, 5.5 |
| 10 | 6.11 | dd | 12, 5.5 |
| 13 | 2.12 | m | |
| 14 | 1.72 | m | |
| 14 | 1.9 | m | |
| 16 | 1.6 | s | |
| 17 | 1.06 | s | |
| 18 | 2.05 | s | |
| 19 | 0.83 | s | |
| 20 | 5.1 | s | |
| 20 | 4.8 | s | |
| OAc | 2.05 | s | |
| OAc | 2.05 | s |
