Taxuyunnanin H

Taxuyunnanin H

Common Name: Taxuyunnanin H

Synonyms:

CAS Registry Number: 167228-04-8

InChI: InChI=1S/C25H38O6/c1-8-19(29)31-18-11-13(2)20-17(28)12-25(7)10-9-16(27)14(3)21(25)23(30-15(4)26)22(18)24(20,5)6/h16-18,21-23,27-28H,3,8-12H2,1-2,4-7H3

InChIKey: InChIKey=IVGZBYIFMCDTOB-UHFFFAOYSA-N

Formula: C25H38O6

Molecular Weight: 434.57

Exact Mass: 434.2668

NMR Solvent: CDCl3

MHz: 400.0

Calibration: Residual solvent 7.24ppm and 77.0ppm for proton and carbon respectively.

NMR references: Zhang, H., Sun, H., and Takeda, Y. (1995). Four New Taxanes from the Roots of Taxus yunnanensis. J. Nat. Prod. 58, 1153–1159.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.78 d 2.1
2 5.32 dd 6.3, 2.2
3 3.19 d 6.2
5 4.14 t 2.8
6a 1.66 m
6b 1.66 m
7α 1.05 m
7β 2.04 m
9α 1.61 dd 14.8, 5.6
9β 2.26 dd 14.7, 11.7
10 5.12 dd 11.7, 5.6
13α 2.74 dd 18.8, 9.3
13β 2.29 dd 18.4, 4.3
14 4.99 dd 9.3, 4.7
16 1.13 s
17 1.68 s
18 1.95 s
19 0.78 s
20a 5.06 br s
20b 4.73 t 1.4
2' 2.26 q 7.6
Me-3' 1.08 t 7.6
2-OAc-CH3 2 s

Carbon NMR Peaks

Position PPM
1 59.4
2 71.2
3 39.8
4 148
5 76.4
6 30.9
7 33.2
8 40
9 47.1
10 67.6
11 138
12 133.6
13 39.5
14 70.7
15 37.6
16 32.1
17 25.4
18 21
19 22.3
20 113.4
1' 173.6
2' 28.1
3' 9.2
2-OAc-CH3 21.4
2-OAc-C=O 169.9