Spektraris NMR
Taxayuntin H
Common Name: Taxayuntin H
Synonyms: 2α-acetyl-13-deacetyl-2-debenzoylabeobaccatin VI
CAS Registry Number:
InChI: InChI=1S/C30H42O13/c1-13-19(36)11-29(27(7,8)37)22(13)23(40-15(3)32)25(41-16(4)33)28(9)20(39-14(2)31)10-21-30(12-38-21,43-18(6)35)24(28)26(29)42-17(5)34/h19-21,23-26,36-37H,10-12H2,1-9H3/t19-,20?,21+,23?,24-,25?,26?,28+,29-,30?/m0/s1
InChIKey: TZFNSITZSZGMKW-QMSGCPEZSA-N
Formula: C30H42O13
Molecular Weight: 610.2625
Exact Mass: 609.9921
NMR Solvent: CDCl3
MHz: 500 (1H); 125 (13C)
Calibration:
NMR references: Zhou, J. Y.
Zhang, P. L.
Chen, W. M.
Fang, Q. C. Taxayuntin H and J from Taxus yunnanensis. Phytochemistry 1998, 48, 1387.
Species: Taxus yunnanensis Cheng et L. K. Fu leaves and stems- collected from Yunnan province, China in 1987
Notes: unspecified armomatic ring data
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.02 | d | 7.7 |
| 3 | 3.09 | d | 7.7 |
| 5 | 4.92 | dd | 7.8, 1.2 |
| 6α | 1.85 | bt | 15.8, 8 |
| 6β | 2.52 | dt | 15.8, 8 |
| 7 | 5.45 | t | 8 |
| 9 | 5.97 | d | 10.6 |
| 10 | 6.24 | d | 10.6 |
| 13 | 4.47 | t | 7.4 |
| 14α | 1.57 | dd | 15, 7.4 |
| 14β | 2.23 | dd | 15, 7.4 |
| 16 | 1.13 | s | |
| 17 | 1.05 | s | |
| 18 | 1.94 | d | 1.3 |
| 19 | 1.66 | s | |
| 20α | 4.51 | d | 7.6 |
| 20β | 4.39 | d | 7.6 |
| AcO | 2.15 | ||
| AcO | 2.08 | ||
| AcO | 2.02 | ||
| AcO | 2.01 | ||
| AcO | 1.95 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 67.57 |
| 2 | 68 |
| 3 | 43.85 |
| 4 | 8.05 |
| 5 | 84.99 |
| 6 | 34.72 |
| 7 | 70.27 |
| 8 | 43.76 |
| 9 | 76.59 |
| 10 | 68.74 |
| 11 | 134.09 |
| 12 | 150.6 |
| 13 | 77.2 |
| 14 | 39.69 |
| 15 | 75.05 |
| 16 | 25.05 |
| 17 | 27.33 |
| 18 | 11.68 |
| 19 | 12.73 |
| 20 | 75.07 |
