2α,7β,9α,10β,13-pentaacetoxy-5α-(2'-hydroxy-3'-N,N-dimethylamino-3'-phenylpropanoyloxy)taxa-4(20),12-dien-11β-ol

2α,7β,9α,10β,13-pentaacetoxy-5α-(2'-hydroxy-3'-N,N-dimethylamino-3'-phenylpropanoyloxy)taxa-4(20),12-dien-11β-ol

Common Name: 2α,7β,9α,10β,13-pentaacetoxy-5α-(2'-hydroxy-3'-N,N-dimethylamino-3'-phenylpropanoyloxy)taxa-4(20),12-dien-11β-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H55NO14/c1-20-29(56-38(49)34(48)33(42(11)12)27-16-14-13-15-17-27)19-31(52-23(4)44)40(10)32(20)35(53-24(5)45)28-18-30(51-22(3)43)21(2)41(50,39(28,8)9)37(55-26(7)47)36(40)54-25(6)46/h13-17,28-29,31-37,48,50H,1,18-19H2,2-12H3/t28-,29-,31?,32-,33-,34+,35?,36?,37?,40+,41-/m0/s1

InChIKey: FEIRMDARBNDFRX-ZELWDHRZSA-N

Formula: C41H55N1O14

Molecular Weight: 785.8755

Exact Mass: 785.3623

NMR Solvent: CDCl3

MHz: 500 MHz (H), 125 MHz (C)

Calibration:

NMR references: Zhang, M. L.

Huo, C. H.

Dong, M.

Li, L. G.

Sauriol, F.

Shi, Q. W.

Gu, Y. C.

Kiyota, H.

Cong, B. Z. Naturforsch. 2008, 63B, 1005.

Species: Needles of T. canadensis collected in Septmeber, 1997 at St-Jean, Quebec, Canada

Notes: unknown callibration

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.8 br d 7.7
2 5.64 br d 6.8
3 3.55 d 6.8
5 5.01 o m
6a 1.55 m
6b 1.22 m
7 4.57 dd 10.2, 8.2
9 4.73 d 4.8
10 5.52 d 4.8
14a 2.51 ddd 18.7, 7.7, 2.3
14b 2.28 d 18.7
16 1.13 s
17 1.42 s
18 1.52 br s
19 1.35 s
20a 5 s
20b 4.96 s
2-OAc 1.87 s
7-OAc 1.91 s
9-OAc 2.14 s
10-OAc 1.94 s
13-OAc 2.19 s
2' 4.83 d 9.7
3' 4.3 br d 9.7
o 7.33 br
m 7.42 br
p 7.42 br
NMe2 2.61 br s

Carbon NMR Peaks

Position PPM
1 50.1
2 68.1
3 40.6
4 140.9
5 68.5
6 31.8
7 70
8 42.6
9 74.4
10 76.5
11 78.3
12 124
13 143.9
14 25.7
15 40.9
16 31.3
17 23.8
18 11.5
19 14.6
20 111.2