Spektraris NMR
Dantaxusin B
Common Name: Dantaxusin B
Synonyms: 5α-Cinnamoyloxy-9α-hydroxy-10β,13α-diacetoxytaxa-4(20),11-diene
CAS Registry Number: 357628-84-3
InChI: InChI=1S/C33H42O7/c1-19-25-17-24-18-27(38-21(3)34)20(2)29(32(24,5)6)30(39-22(4)35)31(37)33(25,7)16-15-26(19)40-28(36)14-13-23-11-9-8-10-12-23/h8-14,24-27,30-31,37H,1,15-18H2,2-7H3/b14-13+/t24-,25-,26+,27+,30-,31+,33-/m1/s1
InChIKey: InChIKey=VVMABQZMSXOGOO-ARASHVSRSA-N
Formula: C33H42O7
Molecular Weight: 550.68
Exact Mass: 550.2931
NMR Solvent: CDCl3
MHz: 400.0
Calibration: TMS
NMR references: Shinozaki, Y., Fukamiya, N., Fukushima, M., Okano, M., Nehira, T., Tagahara, K., Zhang, S.-X., Zhang, D.-C., and Lee, K.-H. (2001). Dantaxusins A and B, Two New Taxoids from Taxus yunnanensis. J. Nat. Prod. 64, 1073–1076.
Species: Taxus
Notes: Multiplets reported as ppm ranges in reference were changed to center of peak (average) ppm value in our table.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.8 | m | |
| 2α | 1.7 | m | |
| 2β | 1.7 | m | |
| 3 | 3.08 | br s | |
| 5 | 5.54 | br s | |
| 6α | 1.8 | m | |
| 6β | 1.88 | m | |
| 7α | 1.91 | m | |
| 7β | 1.7 | m | |
| 9 | 4.28 | dd | 10 |
| 10 | 5.92 | d | 10 |
| 13 | 5.75 | t | 9.2, 8.4 |
| 14α | 1.04 | m | |
| 14β | 2.74 | m | |
| 16 | 1.07 | s | |
| 17 | 1.49 | s | |
| 18 | 2.24 | s | |
| 19 | 0.96 | s | |
| 20 | 5.29 | s | |
| 20 | 4.88 | s | |
| 2' | 6.58 | d | 16 |
| 3' | 7.75 | d | 16 |
| 5' | 7.5 | m | |
| 6' | 7.4 | m | |
| 7' | 7.4 | m | |
| OAc-10 | 2.12 | s | |
| OAc-13 | 1.72 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 40.3 |
| 2 | 28.2 |
| 3 | 37.9 |
| 4 | 149.2 |
| 5 | 76.7 |
| 6 | 28 |
| 7 | 26.1 |
| 8 | 43.3 |
| 9 | 77.2 |
| 10 | 76.2 |
| 11 | 135.7 |
| 12 | 136.4 |
| 13 | 70.7 |
| 14 | 32.4 |
| 15 | 39.3 |
| 16 | 31.2 |
| 17 | 27.3 |
| 18 | 15.3 |
| 19 | 18.2 |
| 20 | 113.8 |
| 1' | 166.3 |
| 2' | 118.9 |
| 3' | 145 |
| 4' | 134.4 |
| 5' | 129 |
| 6' | 127.9 |
| 7' | 130.5 |
| OAc-10 | 170.5 |
| OAc-10 | 21.4 |
| OAc-13 | 170.8 |
| OAc-13 | 21 |
