Taxezopidine D

Taxezopidine D

Common Name: Taxezopidine D

Synonyms:

CAS Registry Number: 205440-20-6

InChI: InChI=1S/C22H32O6/c1-10-14(24)7-8-22(6)16(10)18(26)13-9-15(25)11(2)17(21(13,4)5)19(20(22)27)28-12(3)23/h13-14,16,18-20,24,26-27H,1,7-9H2,2-6H3/t13-,14-,16-,18+,19+,20-,22+/m0/s1

InChIKey: InChIKey=XFEUMJJMSJHHTG-SEDSALCPSA-N

Formula: C22H32O6

Molecular Weight: 392.49

Exact Mass: 392.2199

NMR Solvent: CDCl3

MHz: 500.0

Calibration: CDCl3 7.26 and 77.0 ppm

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 2.31 d 6.9
2 4.17 dd 6.8, 5.6
OH-2 1.98 d 6.5
3 3.46 d 5.6
OH-5 1.43 br d
5 4.21 m
6a 1.77 m
6b 1.65 m
7a 1.71 m
7b 1.65 m
OH-9 2.2 d 4.7
9 4.18 dd 9.8, 4.7
10 5.9 d 9.8
14a 2.77 dd 19.8, 6.9
14b 2.21 d 19.8
16 1.56 s
17 1.11
18 2.2 s
19 0.9
20a 5.22 s
20b 5.21 s
CH3CO-10 2.12 s

Carbon NMR Peaks

Position PPM
1 51.29
2 68.31
3 43.1
4 149.37
5 75.85
6 26.77
7 31.56
8 45.52
9 75.85
10 76.76
11 150.33
12 137.77
13 200.11
14 35.76
15 38
16 25.53
17 37.65
18 13.95
19 17.56
20 114.1
10-CH3CO 170.17
10-CH3CO 21.18