Taxezopidine A

Taxezopidine A

Common Name: Taxezopidine A

Synonyms:

CAS Registry Number: 199331-74-3

InChI: InChI=1S/C26H36O9/c1-12-18(30)8-9-24(6)19(12)21(33-14(3)27)17-10-26(31)13(2)20(25(17,7)11-32-26)22(34-15(4)28)23(24)35-16(5)29/h17-19,21-23,30-31H,1,8-11H2,2-7H3

InChIKey: InChIKey=OFABTNFZWMLARJ-UHFFFAOYSA-N

Formula: C26H36O9

Molecular Weight: 492.56

Exact Mass: 492.2359

NMR Solvent: CDCl3

MHz: Not mentioned.

Calibration: Not mentioned.

NMR references: Wang, X., Shigemori, H., and Kobayashi, J. (1997). Taxezopidine A, a Novel Taxoid from Seeds of Japanese Yew Taxus cuspidata. Tetrahedron Letters 38, 7587–7588.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.11 dd 9.2, 0.7
2 5.48 dd 5.3, 0.7
3 3.26 d 5.3
5 4.22 br s
6a 1.8 m
6b 1.66 m
7a 1.94 m
7b 1.66 m
9 5.71 d 10.7
10 6.14 d 10.7
14a 2.02 dd 14.6, 9.2
14b 1.63 d 14.6
16 1.54 s
17a 3.49 d 8
17b 3.11 d 8
18 2.2 s
19 0.9 s
20a 5.16 s
20b 4.91 s
2-AcO 2.07 s
9-AcO 2.06 s
10-AcO 1.98 s

Carbon NMR Peaks

Position PPM
1 45.62
2 71.06
3 40.08
4 147.1
5 76.38
6 31.5
7 26.71
8 44.02
9 76.38
10 70.01
11 130.06
12 142.01
13 97.5
14 35.02
15 37.97
16 17.11
17 74.2
18 12.5
19 17.17
20 114.88
2-AcO 21
2-AcO 170.06
9-AcO 20.94
9-AcO 170.06
10-AcO 21.72
10-AcO 170.01