Spektraris NMR
5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene
Common Name: 5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene
Synonyms: 5α,13α-Dihydroxy-2α,10β-diacetoxytaxa-4(20),11(12)-diene
CAS Registry Number: 856889-93-5
InChI: InChI=1S/C24H36O6/c1-12-17(27)8-9-24(7)11-19(29-14(3)25)20-13(2)18(28)10-16(23(20,5)6)22(21(12)24)30-15(4)26/h16-19,21-22,27-28H,1,8-11H2,2-7H3/t16-,17-,18-,19-,21-,22+,24-/m0/s1
InChIKey: InChIKey=BGSADWWOJHEAMO-ODEUEQIYSA-N
Formula: C24H36O6
Molecular Weight: 420.54
Exact Mass: 420.25119
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: Multiplets reported as ppm ranges were changed to center ppm value of the multiplet. Relative stereochemistry not reported in literature. Acetate proton signals poorly resolved.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.76 | m | |
| 2 | 5.61 | dd | 6, 1.5 |
| 3 | 3.4 | d | 5.5 |
| 5 | 4.28 | br s | |
| 6 | 1.76 | m | |
| 7 | 1.18 | m | |
| 7 | 2.15 | m | |
| 9 | 1.44 | m | |
| 9 | 2.32 | dd | 14.5, 12 |
| 10 | 6.09 | dd | 12, 5.5 |
| 13 | 4.35 | dd | 10.2, 3.3 |
| 14 | 2.7 | dt | 15.5, 10 |
| 14 | 1.63 | dt | 15.5, 3 |
| 16 | 1.59 | s | |
| 17 | 0.93 | s | |
| 18 | 2.2 | s | |
| 19 | 0.84 | s | |
| 20 | 5.15 | s | |
| 20 | 4.83 | t | 1.5 |
| OAc-CH3 | 2.05 | br s | |
| OAc-CH3 | 2.05 | br s |
