Common Name: Taxezopidine J
Synonyms: Taxezopidin J
CAS Registry Number: 223589-34-2
InChI: InChI=1S/C35H42O10/c1-19-26(45-27(39)14-13-24-11-9-8-10-12-24)15-16-33(6)28(19)30(42-21(3)36)25-17-35(40)20(2)29(34(25,7)18-41-35)31(43-22(4)37)32(33)44-23(5)38/h8-14,25-26,28,30-32,40H,1,15-18H2,2-7H3/b14-13+
InChIKey: InChIKey=CEAAWQZVSISBFI-BUHFOSPRSA-N
Formula: C35H42O10
Molecular Weight: 622.7
Exact Mass: 622.2778
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Residual solvent 7.26 ppm and 77.0 ppm for proton and carbon respectively.
NMR references: Shigemori, H., Sakurai, C.A., Hosoyama, H., Kobayashi, A., Kajiyama, S., and Kobayashi, J. (1999). Taxezopidines J, K, and L, new taxoids from Taxus cuspidata inhibiting Ca2+-induced depolymerization of microtubules. Tetrahedron 55, 2553–2558.
Species: Taxus
Notes:
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 2.18 | m | |
2 | 5.48 | dd | 5.6, 1.5 |
3 | 3.13 | d | 5.6 |
5 | 5.41 | br s | |
6a | 1.81 | m | |
6b | 1.66 | m | |
7a | 1.87 | m | |
7b | 1.83 | m | |
9 | 5.71 | d | 10.8 |
10 | 6.09 | d | 10.8 |
14a | 2.05 | m | |
14b | 1.73 | d | 16 |
16 | 1.52 | s | |
17a | 3.48 | d | 8.1 |
17b | 3.09 | d | 8.1 |
18 | 2.23 | s | |
19 | 0.92 | s | |
20a | 5.37 | s | |
20b | 4.93 | s | |
22 | 6.7 | d | 16 |
23 | 7.7 | d | 16 |
25, 29 | 7.6 | m | |
26, 28 | 7.37 | m | |
27 | 7.37 | m | |
2-AcO | 2.06 | s | |
9-AcO | 2.04 | s | |
10-AcO | 1.98 | s |
Position | PPM |
---|---|
1 | 48.3 |
2 | 70 |
3 | 42.78 |
4 | 146.63 |
5 | 76.37 |
6 | 28.45 |
7 | 27.9 |
8 | 43.74 |
9 | 76.37 |
10 | 70 |
11 | 128.96 |
12 | 141.4 |
13 | 96.25 |
14 | 35.35 |
15 | 37.62 |
16 | 17.36 |
17 | 75.54 |
18 | 11.9 |
19 | 17.36 |
20 | 118.03 |
21 | 166.34 |
22 | 118.08 |
23 | 145.65 |
24 | 134.45 |
25, 29 | 128.3 |
26, 28 | 128.95 |
27 | 130.41 |
2-AcO | 21.11 |
2-AcO | 169.51 |
9-AcO | 20.91 |
9-AcO | 169.97 |
10-AcO | 21.6 |
10-AcO | 169.51 |