Taxezopidine C

Taxezopidine C

Common Name: Taxezopidine C

Synonyms:

CAS Registry Number: 205440-19-3

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

InChIKey: InChIKey=DFVNOLZALKWQCQ-MGMIPAKDSA-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 2.32 d 6.8
2 4.27 dd 6.8, 5.9
OH-2 1.86 d 6.5
3 3.45 d 5.9
OH-5 1.55 br d
5 4.21 m
6a 1.77 m
6b 1.65 m
7a 1.71 m
7b 1.65 m
9 5.65 d 10.1
10 5.02 dd 10.1, 3.8
OH-10 2.05 d 3.8
14a 2.8 dd 19.7, 7.2
14b 2.21 d 19.7
16 1.73 s
17 1.24 s
18 2.06 s
19 1.12 s
20a 5.26 s
20b 5.22 s
CH3CO-9 2.15 s

Carbon NMR Peaks

Position PPM
1 51.61
2 68.41
3 42.83
4 148.97
5 75.94
6 25.75
7 31.15
8 44.97
9 79.19
10 71.86
11 153.67
12 135.8
13 200.34
14 35.83
15 37.65
16 25.53
17 37.65
18 13.95
19 17.56
20 114.68
9-CH3CO 172.5
9-CH3CO 21