Spektraris NMR
Taxusin
Common Name: Taxusin
Synonyms: Taxa-4(20),11-diene-5α,9α,10β,13α-tetrol, tetraacetate
CAS Registry Number: 19605-80-2
InChI: InChI=1S/C28H40O8/c1-14-21-12-20-13-23(34-17(4)30)15(2)24(27(20,7)8)25(35-18(5)31)26(36-19(6)32)28(21,9)11-10-22(14)33-16(3)29/h20-23,25-26H,1,10-13H2,2-9H3/t20-,21-,22+,23+,25-,26+,28-/m1/s1
InChIKey: InChIKey=SKJSIVQEPKBFTJ-HUWILPJBSA-N
Formula: C28H40O8
Molecular Weight: 504.61
Exact Mass: 504.2723
NMR Solvent: CDCl3
MHz: 500.0
Calibration: not given
NMR references: Hara, R., Furukawa, T., Kashima, H., Kusama, H., Horiguchi, Y., and Kuwajima, I. (1999). Enantioselective Total Synthesis of (+)-Taxusin. J. Am. Chem. Soc. 121, 3072–3082.
Species: Taxus
Notes: Assignments not given. No access to original isolation literature. 7 proton multiplet at 1.77ppm were reported as 1.65-1.88 in literature. Multiplet at 5.87ppm was reported as 5.83-5.90 in literature.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 0.75 | s | ||
| 1.07 | dd | 14.4, 7.8 | |
| 1.11 | s | ||
| 1.62 | s | ||
| 1.77 | m | ||
| 2.01 | s | ||
| 2.05 | s | ||
| 2.07 | s | ||
| 2.11 | d | 1.3 | |
| 2.16 | s | ||
| 2.69 | dt | 14.4, 9.9 | |
| 3 | d | 5.7 | |
| 4.85 | s | ||
| 5.21 | s | ||
| 5.36 | t | 2.8 | |
| 5.87 | d | 10.7 | |
| 5.87 | m | ||
| 6.08 | d | 10.7 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 14.8 | |
| 17.7 | |
| 20.8 | |
| 21 | |
| 21.4 | |
| 21.8 | |
| 27.3 | |
| 27.3 | |
| 27.4 | |
| 28.3 | |
| 31.3 | |
| 31.9 | |
| 38 | |
| 39.3 | |
| 40.4 | |
| 42.9 | |
| 70.8 | |
| 72.6 | |
| 76.3 | |
| 77.5 | |
| 114.1 | |
| 134.9 | |
| 137 | |
| 148.8 | |
| 169.9 | |
| 169.9 | |
| 170.4 | |
| 170.4 |
