Taxezopidine E

Taxezopidine E

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:

Proton NMR Peaks

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

Carbon NMR Peaks

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