Spektraris NMR
Dantaxusin C
Common Name: Dantaxusin C
Synonyms:
CAS Registry Number: 322471-49-8
InChI: InChI=1S/C37H44O12/c1-19-26(48-29(43)16-15-24-13-11-10-12-14-24)18-28(44-20(2)38)35(8)30(19)31(45-21(3)39)25-17-27(42)36(9)37(49-36,34(25,6)7)33(47-23(5)41)32(35)46-22(4)40/h10-16,25-26,28,30-33H,1,17-18H2,2-9H3/b16-15+/t25-,26-,28-,30-,31+,32-,33-,35+,36+,37-/m0/s1
InChIKey: InChIKey=MOYWWZOOLCCTFX-WXJTWOLQSA-N
Formula: C37H44O12
Molecular Weight: 680.74
Exact Mass: 680.2833
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. (2002). Dantaxusins C and D, Two Novel Taxoids from Taxus yunnanensis. J. Nat. Prod. 65, 371–374.
Species: Taxus
Notes: Assignment missing for carbon at position 3'.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 2 | m | |
| 2β | 5.78 | dd | 5.6, 1.2 |
| 3 | 3.08 | d | 5.6 |
| 5 | 5.52 | t | 4 |
| 6α | 2.16 | m | |
| 6β | 1.86 | m | |
| 7aα | 5.64 | dd | 11.2, 2.6 |
| 9 | 6.04 | d | 11.2 |
| 10 | 5.47 | d | 11.2 |
| 14α | 2.35 | d | 20 |
| 14β | 2.7 | dd | 20, 8.4 |
| 16 | 0.82 | s | |
| 17 | 1.84 | s | |
| 18 | 2.12 | s | |
| 19 | 1.05 | s | |
| 20a | 5.58 | s | |
| 20b | 5.12 | s | |
| CH3COO-2 | 2.02 | s | |
| CH3COO-7 | 2.04 | s | |
| CH3COO-9 | 2.08 | s | |
| CH3COO-10 | 2.05 | s | |
| 2' | 6.23 | d | 16 |
| 3' | 7.7 | d | 16 |
| 5' | 7.6 | m | |
| 6' | 7.5 | m | |
| 7' | 7.5 | m | |
| 8' | 7.5 | m | |
| 9' | 7.6 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 51.4 |
| 2 | 68.4 |
| 3 | 41.9 |
| 4 | 138.6 |
| 5 | 76.4 |
| 6 | 34.6 |
| 7 | 69.1 |
| 8 | 46.8 |
| 9 | 75.6 |
| 10 | 71.4 |
| 11 | 64.4 |
| 12 | 59.3 |
| 13 | 208.3 |
| 14 | 38.2 |
| 15 | 38.5 |
| 16 | 29.1 |
| 17 | 25.4 |
| 18 | 15.6 |
| 19 | 13.5 |
| 20 | 120.8 |
| CH3COO-2 | 21.1 |
| CH3COO-2 | 168.8 |
| CH3COO-7 | 20.8 |
| CH3COO-7 | 169.2 |
| CH3COO-9 | 21.4 |
| CH3COO-9 | 169.5 |
| CH3COO-10 | 20.6 |
| CH3COO-10 | 169.6 |
| 1' | 165.8 |
| 2' | 116.5 |
| 4' | 134 |
| 5', 9' | 128.5 |
| 6', 8' | 129.1 |
| 7' | 130.8 |
