Taxezopidines N

Taxezopidines N

Common Name: Taxezopidines N

Synonyms:

CAS Registry Number: 857297-58-6

InChI: InChI=1S/C39H51NO13/c1-20-28(53-31(46)17-27(40(9)10)25-14-12-11-13-15-25)18-30(49-21(2)41)37(7)32(20)33(50-22(3)42)26-16-29(45)38(8)39(47,36(26,6)19-48-38)35(52-24(5)44)34(37)51-23(4)43/h11-15,26-28,30,32-35,47H,1,16-19H2,2-10H3/t26-,27+,28-,30-,32-,33+,34-,35-,36-,37+,38+,39-/m0/s1

InChIKey: InChIKey=PQJOHGQAPUPRJS-KDPJYAIESA-N

Formula: C39H51N1O13

Molecular Weight: 741.82

Exact Mass: 741.336

NMR Solvent: CD3OD

MHz: 600.0

Calibration: Residual solvent 3.31 ppm and 49.0 ppm for proton and carbon respectively.

NMR references: Morita, H., Machida, I., Hirasawa, Y., and Kobayashi, J. (2005). Taxezopidines M and N, Taxoids from the Japanese Yew, Taxus cuspidata. J. Nat. Prod. 68, 935–937.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.54 m
2 5.59 m
3 3.29 m
5 5.17 m
6a 1.93 m
6b 1.55 m
7 5.29 m
9 5.27 d 2.6
10 5.35 d 2.6
14a 3.23 m
14b 2.51 m
16 1.53 s
17a 4.12 d 8.1
17b 3.82 d 8.1
18 1.12 s
19 1.05 s
20a 5.37 s
20b 4.63 s
22a 3.72 m
22b 3.64 m
23 5 m
OAc-2 1.99 s
OAc-7 2.17 s
OAc-9 2.12 s
OAc-10 2.02 s
Ph 7.61 m
NMe2-23 3.02 m
NMe2-23 2.88 m

Carbon NMR Peaks

Position PPM
1 50.6
2 69.9
3 41.5
4 140.8
5 77.9
6 37.1
7 69.5
8 47.7
9 75.4
10 65.4
11 82.2
12 93.2
13 209.3
14 36.6
15 50.4
16 16
17 82.7
18 12.3
19 13.2
20 117
21 169
22 35.9
23 67.5
OAc-2 21.2
OAc-2 170.7
OAc-7 21.4
OAc-7 171.6
OAc-9 20.9
OAc-9 172.4
OAc-10 21.2
OAc-10 171.1
Ph 130.6
Ph 130.9
Ph 132.9
NMe2-23 40.8
NMe2-23 40.8