Spektraris NMR
Yunantaxusin A
Common Name: Yunantaxusin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H46O14/c1-17-23(40)15-34(32(6,7)43)26(17)27(49-31(42)22-12-10-9-11-13-22)30(48-21(5)39)33(8)24(46-19(3)37)14-25(47-20(4)38)35(44,16-45-18(2)36)28(33)29(34)41/h9-13,23-25,27-30,40-41,43-44H,14-16H2,1-8H3/t23-,24?,25?,27?,28-,29-,30?,33+,34-,35?/m0/s1
InChIKey: FVMMMIQAHYVARA-GFNVVEKNSA-N
Formula: C35H46O14
Molecular Weight: 713.2785
Exact Mass: 713.2783
NMR Solvent: CHCl3
MHz:
Calibration: TMS
NMR references: Shunxiang Zhang, Catherine Tung-Ling Lee, Yoshiki Kashiwada, Ke Chen, De-Cheng Zhang, Kuo-Hsiung Lee. J. Nat. Prod. 1994, 57, 11, 1580-1583. https://doi.org/10.1021/np50113a020
Species: Taxus yunanensis leaves collected from the Yunnan Province, China
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 4.87 | m | |
| 3 | 2.8 | d | 7 |
| 5 | 5.14 | t | 3 |
| 6 | 1.97 | m | |
| 7 | 5.51 | dd | 6.5 |
| 9 | 5.97 | d | 10.5 |
| 10 | 6.47 | d | 10.5 |
| 13 | 4.58 | m | |
| 14α | 1.97 | m | 7.5, 14.5 |
| 14β | 2.28 | dd | 7.5, 14.5 |
| 16 | 1.36 | s | |
| 17 | 1.24 | s | |
| 18 | 2.06 | s | |
| 19 | 1.2 | s | |
| 20α | 4.56 | d | 12 |
| 20β | 4.73 | d | 12 |
| 2' | 7.87 | d | 7.5 |
| 3' | 7.43 | m | |
| 4' | 7.56 | m | |
| OAc | 1.71 | s | |
| OAc | 2.03 | s | |
| OAc | 2.13 | s | |
| OAc | 2.18 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 69.3 |
| 2 | 68.7 |
| 3 | 43.8 |
| 4 | 75.9 |
| 5 | 70.4 |
| 6 | 30.4 |
| 7 | 68.1 |
| 8 | 43.6 |
| 9 | 76.4 |
| 10 | 69.3 |
| 11 | 135.1 |
| 12 | 150.2 |
| 13 | 77 |
| 14 | 36.2 |
| 15 | 76.6 |
| 16 | 26.8 |
| 17 | 27.9 |
| 18 | 12 |
| 19 | 14.6 |
| 20 | 64.6 |
| 1' | 129.2 |
| 2' | 129.5 |
| 3' | 128.7 |
| 4' | 133.3 |
| COO | 164.2 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.