Taxayuntin J

Taxayuntin J

Common Name: Taxayuntin J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H44O13/c1-13-20(36)11-30(28(7,8)38)23(13)25(42-17(5)34)27(43-18(6)35)29(9)22(41-16(4)33)10-21(40-15(3)32)19(12-39-14(2)31)24(29)26(30)37/h19-22,24-27,36-38H,10-12H2,1-9H3/t19-,20+,21+,22+,24+,25-,26+,27+,29-,30+/m1/s1

InChIKey: PEKHIMFDZJOIMW-URUOICTDNA-N

Formula: C30H44O13

Molecular Weight: 612.2782

Exact Mass: 611.9017

NMR Solvent: CDCl3

MHz: 500 (1H); 125 (13C)

Calibration:

NMR references: Zhou, J. Y.

Zhang, P. L.

Chen, W. M.

Fang, Q. C. Taxayuntin H and J from Taxus yunnanensis. Phytochemistry 1998, 48, 1387.

Species: Taxus yunnanensis Cheng et L. K. Fu leaves and stems- collected from Yunnan province, China in 1987

Notes: unspecified armomatic ring data

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.67 d 8.2
3 2.54 dd 8.2, 4.7
5 5.05 dd 2.7, 5.1
6α 1.89 m
6β 1.89 m
7 5.33 dd 9.5, 6.9
9 5.61 d 10.5
10 6.23 d 1.5
13 4.58 d 7.1
14α 1.74 dd 7.3, 14.6
14β 2.32 dd 7.3, 14.6
16 1.31 s
17 1.26 s
18 1.97 s
19 1.02 s
20α 4.41 dd 1.8, 1.2
20β 4.06 dd 9.7, 11.2
AcO 2.07 s
AcO 2.07 s
AcO 2.04 s
AcO 1.98 s
AcO 1.96 s

Carbon NMR Peaks

Position PPM
1 69.07
2 65.73
3 40.44
4 41.09
5 70.2
6 29.48
7 69.24
8 43.51
9 76.42
10 69.07
11 134.39
12 150.16
13 76.58
14 39.74
15 76.42
16 26.98
17 27.48
18 11.72
19 14.06
20 63.81