Spektraris NMR
Taxa-4(20),11(12)-diene-2α,5α-diol
Common Name: Taxa-4(20),11(12)-diene-2α,5α-diol
Synonyms: Taxa-4(20),11(12)-diene-2α,5α-diol
CAS Registry Number: 312694-60-3
InChI: InChI=1S/C20H32O2/c1-12-6-7-15-18(22)17-13(2)16(21)9-11-20(17,5)10-8-14(12)19(15,3)4/h15-18,21-22H,2,6-11H2,1,3-5H3/t15-,16-,17-,18+,20+/m0/s1
InChIKey: InChIKey=QDSRNVITOJPOJZ-KVIJGQROSA-N
Formula: C20H32O2
Molecular Weight: 304.47
Exact Mass: 304.2402
NMR Solvent: CDCl3
MHz: 400.0
Calibration: not reported
NMR references: Vázquez, A., and Williams, R.M. (2000). Studies on the Biosynthesis of Taxol. Synthesis of Taxa-4(20),11(12)-diene-2α,5α-diol. J. Org. Chem. 65, 7865–7869.
Species: Taxus
Notes: Neither proton nor carbon NMR assignments are reported in literature. We report multiplets as average ppm of ranges reported in literature.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 5.21 | m | ||
| 4.88 | br s | ||
| 4.37 | m | ||
| 3.94 | m | ||
| 2.94 | d | 5.5 | |
| 2.57 | m | ||
| 2.4 | m | ||
| 2.15 | m | ||
| 2.02 | m | ||
| 1.88 | m | ||
| 1.75 | s | ||
| 1.69 | m | ||
| 1.56 | ddd | 15, 10, 5.5 | |
| 1.41 | m | ||
| 1.37 | m | ||
| 1.08 | s | ||
| 1.07 | s | ||
| 1.04 | dd | 6.5, 1 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 154 | |
| 135.8 | |
| 130.6 | |
| 109.2 | |
| 70.7 | |
| 69.5 | |
| 54.6 | |
| 48.4 | |
| 41.9 | |
| 39.5 | |
| 38 | |
| 37.8 | |
| 31 | |
| 30.7 | |
| 29.4 | |
| 26.9 | |
| 24.1 | |
| 22.6 | |
| 21.8 | |
| 17.5 |
