Common Name: Taxezopidine E
Synonyms:
CAS Registry Number: 205440-21-7
InChI: InChI=1S/C31H38O8/c1-16-21(33)14-20-27(36)25-17(2)22(39-24(35)13-12-19-10-8-7-9-11-19)15-23(34)31(25,6)29(37)28(38-18(3)32)26(16)30(20,4)5/h7-13,20,22-23,25,27-29,34,36-37H,2,14-15H2,1,3-6H3/b13-12+/t20-,22-,23-,25-,27+,28+,29-,31+/m0/s1
InChIKey: InChIKey=LACLKGVXIBAENI-UDMFJDJZSA-N
Formula: C31H38O8
Molecular Weight: 538.63
Exact Mass: 538.2567
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Residual solvent signals 7.26 ppm for proton and 77.0 ppm for carbon.
NMR references: Wang, X., Shigemori, H., and Kobayashi, J. (1998). Taxezopidines B−H, New Taxoids from Japanese Yew Taxus cuspidata. J. Nat. Prod. 61, 474–479.
Species: Taxus
Notes:
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 2.37 | d | 9.8 |
2 | 4.23 | m | |
3 | 3.06 | d | 6.1 |
5 | 5.35 | m | |
6a | 2.21 | m | |
6b | 1.78 | m | |
7 | 4.24 | q | 14.6, 4.1 |
9 | 4.32 | d | 10.1 |
10 | 6.08 | d | 10.1 |
14a | 2.85 | q | 9.8, 6.2 |
14b | 2.19 | m | |
16 | 1.6 | s | |
17 | 1.17 | s | |
18 | 2.25 | s | |
19 | 1.24 | s | |
20a | 5.47 | s | |
20b | 5.52 | s | |
22 | 6.38 | d | 15.9 |
23 | 7.67 | d | 15.9 |
25, 29 | 7.75 | d | 7.1 |
26, 28 | 7.44 | d | 7.1 |
27 | 7.43 | m | |
AcO | 2.17 | s |
Position | PPM |
---|---|
1 | 51.43 |
2 | 66.42 |
3 | 43.57 |
4 | 142.5 |
5 | 75.86 |
6 | 37.86 |
7 | 71.35 |
8 | 47.5 |
9 | 77.57 |
10 | 76.75 |
11 | 151.43 |
12 | 137.43 |
13 | 199.29 |
14 | 35.71 |
15 | 37.85 |
16 | 27.14 |
17 | 37.82 |
18 | 14.28 |
19 | 13.02 |
20 | 119.29 |
21 | 166.43 |
22 | 117.5 |
23 | 146.07 |
24 | 134.28 |
25, 29 | 128.96 |
26, 28 | 128.56 |
27 | 130.7 |
COCH3 | 170.01 |
COCH3 | 21.07 |