Spektraris NMR
5-Decinnamoyltaxuspine D
Common Name: 5-Decinnamoyltaxuspine D
Synonyms:
CAS Registry Number: 247116-45-6
InChI: InChI=1S/C30H42O12/c1-13-21(36)12-23(39-16(4)32)29(10)24(13)25(40-17(5)33)20-11-22(38-15(3)31)14(2)30(37,28(20,8)9)27(42-19(7)35)26(29)41-18(6)34/h20-21,23-27,36-37H,1,11-12H2,2-10H3/t20-,21-,23-,24-,25+,26-,27-,29+,30-/m0/s1
InChIKey: InChIKey=NJZSMGYGWKGBPU-PVBNJQRXSA-N
Formula: C30H42O12
Molecular Weight: 594.65
Exact Mass: 594.2676
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Solvent residue ppm not mentioned.
NMR references: Zamir, L.O., Zhang, J., Wu, J., Sauriol, F., and Mamer, O. (1999). Five Novel Taxanes from Taxus canadensis. J. Nat. Prod. 62, 1268–1273.
Species: Taxus
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.88 | d | 7.8 |
| 2 | 5.72 | d | 7.2 |
| 3 | 3.61 | d | 7.2 |
| 5 | 4.22 | br t | 8.3 |
| 6a | 2.2 | m | |
| 6b | 1.78 | m | |
| 7 | 4.72 | dd | 10, 8.1 |
| 9 | 4.7 | d | 4.9 |
| 10 | 5.57 | d | 4.9 |
| 14a | 2.57 | ddd | 18.5, 7.8, 1.2 |
| 14b | 2.38 | d | 18.5 |
| 16 | 1.17 | s | |
| 17 | 1.46 | s | |
| 18 | 1.55 | s | |
| 19 | 1.46 | s | |
| 20a | 5.27 | br s | |
| 20b | 5.04 | br s | |
| OAc | 2.2 | s | |
| OAc | 2.17 | s | |
| OAc | 1.97 | s | |
| OAc | 1.97 | s | |
| OAc | 1.94 | s | |
| OH-11 | 2.14 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 50.1 |
| 2 | 68.8 |
| 3 | 40.5 |
| 4 | 147.4 |
| 5 | 65.8 |
| 6 | 36.2 |
| 7 | 70.4 |
| 8 | 43.1 |
| 9 | 74.5 |
| 10 | 76.4 |
| 11 | 78.4 |
| 12 | 124 |
| 13 | 144.1 |
| 14 | 25.5 |
| 15 | 40.9 |
| 16 | 31.2 |
| 17 | 23.8 |
| 18 | 11.2 |
| 19 | 14.5 |
| 20 | 109.6 |
| OAc | 20.5 |
| OAc | 20.8 |
| OAc | 20.5 |
| OAc | 20.8 |
| OAc | 168.5 |
| OAc | 170.2 |
| OAc | 170.2 |
| OAc | 169.2 |
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