Spektraris NMR
Taxayuntin E
Common Name: Taxayuntin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O12/c1-16-21(37)14-32(30(5,6)40)24(16)25(38)27(43-18(3)35)31(7)22(42-17(2)34)13-23-33(15-41-23,45-19(4)36)26(31)28(32)44-29(39)20-11-9-8-10-12-20/h8-12,21-23,25-28,37-38,40H,13-15H2,1-7H3/t21-,22?,23+,25+,26?,27?,28-,31+,32-,33?/m0/s1
InChIKey: UNOXUAXKYZZGRD-OKAUEJQQSA-N
Formula: C33H42O12
Molecular Weight: 630.68
Exact Mass: 629.9017
NMR Solvent: CHCl3
MHz: 500 (1H); 125 (13C)
Calibration: TMS and CHCl3 signal at 77.0 ppm
NMR references: Qin Yue, Qi-Cheng Fang, Xiao-Tian Liang, Cun-Heng He. Taxayuntin E and F: Two taxanes from leaves and stems of Taxus yunnanensis. Phytochemistry, Volume 39, Issue 4, 1995, Pages 871-873. Li, Z. P.
Hu, C. H.
Zhang, M. L.
Shi, Q. W. Chin. Tradit. Herb. Drugs (Zhongcaoyao) 2006, 37, 175.
Species: Taxus yunnanensis Cheng et L. K. Fu leaves and stems- collected from Yunnan province, China in March 1993
Notes: unspecified armomatic ring data
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.19 | d | 7.6 |
| 3 | 3.13 | d | 7.6 |
| 5 | 4.91 | brd | 8.4 |
| 6α | 2.35 | m | |
| 6β | 1.77 | m | |
| 7 | 5.42 | brt | 8.7 |
| 9 | 5.86 | d | 10.2 |
| 10 | 4.63 | d | 10.3 |
| 13 | 4.5 | brt | 7.1 |
| 14α | 1.86 | m | |
| 14β | 2.16 | m | |
| 16 | 1.05 | s | |
| 17 | 0.97 | s | |
| 18 | 1.83 | s | |
| 19 | 1.61 | s | |
| 20α | 4.3 | d | 7.5 |
| 20β | 4.5 | d | 7.6 |
| AcO | 2.05 | s | |
| AcO | 2.09 | s | |
| AcO | 2.16 | s | |
| 2' | 8 | d | 7.5 |
| 3' | 7.47 | m | |
| 4' | 7.58 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 68.8 |
| 2 | 70.1 |
| 3 | 46.5 |
| 4 | 80.3 |
| 5 | 86.1 |
| 6 | 35.9 |
| 7 | 72.4 |
| 8 | 44.6 |
| 9 | 80.8 |
| 10 | 67.6 |
| 11 | 138.3 |
| 12 | 148 |
| 13 | 77.7 |
| 14 | 40.3 |
| 15 | 76.7 |
| 16 | 25.3 |
| 17 | 28.1 |
| 18 | 11.3 |
| 19 | 13.1 |
| 20 | 75.6 |
