Taxezopidine H

Taxezopidine H

Common Name: Taxezopidine H

Synonyms:

CAS Registry Number: 205440-23-9

InChI: InChI=1S/C35H44O9/c1-19-26-16-25-17-27(39)20(2)31(34(25,6)7)32(42-22(4)37)33(43-23(5)38)35(26,8)29(41-21(3)36)18-28(19)44-30(40)15-14-24-12-10-9-11-13-24/h9-15,25-29,32-33,39H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27+,28+,29+,32-,33+,35+/m1/s1

InChIKey: InChIKey=SOSLCGUOOOQMEN-HNCSRTHDSA-N

Formula: C35H44O9

Molecular Weight: 608.72

Exact Mass: 608.2985

NMR Solvent: CDCl3

MHz: 500.0

Calibration: CDCl3 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:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.79 m
2a 1.9 dd 11.4, 5.8
2b 1.8 m
3 3.05 d 5.4
5 5.52 dd 3.3, 2.5
6a 2.05 m
6b 1.84 dd 11.6, 4.6
7 5.64 dd 11.6, 5.1
9 5.86 d 11
10 5.64 dd 11.6, 5.1
13 4.54 br s
14a 2.82 m
14b 1.1 dd 13.1, 5.5
16 0.95 s
17 1.56 s
18 2.4 s
19 0.85 s
20a 5.35 s
20b 5.01 s
22 6.69 d 15.9
23 7.72 d 15.9
25 7.54 m
26 7.39 m
27 7.39 m
28 7.39 m
29 7.54 m
7-OAc 2.06 s
9-OAc 2.03 s
10-OAc 1.99 s

Carbon NMR Peaks

Position PPM
1 40.03
2 27.22
3 37.92
4 145.88
5 75.18
6 34.13
7 70.04
8 46.41
9 76.88
10 72.41
11 134.24
12 141.63
13 68.16
14 36.34
15 38.96
16 26.56
17 31.8
18 16.12
19 12.99
20 115.74
9-CH3CO 170.26
7-CH3CO 169.73
10-CH3CO 169.33
9-CH3CO 20.84
7-CH3CO 21.39
10-CH3CO 21.05
21 166.23
22 117.78
23 146.59
24 134.47
25 128.92
26 128.21
27 130.36
28 128.21
29 128.92