Taxuspine G

Taxuspine G

Common Name: Taxuspine G

Synonyms: 2-​Deacetyl-​5-​(decinnamoyl)​taxinin

CAS Registry Number: 163979-22-4

InChI: InChI=1S/C24H34O7/c1-11-16(27)8-9-24(7)18(11)20(29)15-10-17(28)12(2)19(23(15,5)6)21(30-13(3)25)22(24)31-14(4)26/h15-16,18,20-22,27,29H,1,8-10H2,2-7H3/t15-,16-,18-,20+,21+,22-,24+/m0/s1

InChIKey: InChIKey=WABUTQVFTQIDOH-YCPIXCPXSA-N

Formula: C24H34O7

Molecular Weight: 434.52

Exact Mass: 434.2305

NMR Solvent: CDCl3

MHz: not specified 400, 500, or 600 MHz

Calibration: CDCl3 7.26 and 77.1 ppm

NMR references: Kobayashi, J., Inubushi, A., Hosoyama, H., Yoshida, N., Sasaki, T., and Shigemori, H. (1995). Taxuspines E ∼ H and J, new taxoids from the Japanese yew Taxus cuspidata. Tetrahedron 51, 5971–5978.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 2.34 dd 7, 1.7
2 4.3 dd 6.2, 1.7
3 3.47 d 6.2
5 4.23 br s
6a 1.64 m
6b 1.75 m
7a 1.61 m
7b 1.81 m
9 5.71 d 10.4
10 6.09 d 10.4
14a 2.23 d 19.7
14b 2.8 dd 19.7, 7
16 1.69 s
17 1.16 s
18 2.21 s
19 0.91 s
20a 5.25 s
20b 5.27 s
AcO 2.04 s
AcO 2.07 s

Carbon NMR Peaks

Position PPM
1 51.4
2 68.3
3 42.9
4 149.6
5 75.8
6 26.8
7 31.1
8 37.7
9 76.1
10 73.3
11 138.8
12 148.8
13 200
14 35.8
15 45
16 25.5
17 37.6
18 14
19 17.4
20 114.7
AcO 20.7
AcO 20.9
AcO 169.3
AcO 170.2