Taxuspine F

Taxuspine F

Common Name: Taxuspine F

Synonyms: Taxuspin F

CAS Registry Number: 164991-80-4

InChI: InChI=1S/C28H38O10/c1-12-19(33)10-18-24(36-15(4)30)23-13(2)20(34)11-21(35-14(3)29)28(23,9)26(38-17(6)32)25(37-16(5)31)22(12)27(18,7)8/h18,20-21,23-26,34H,2,10-11H2,1,3-9H3/t18-,20-,21-,23-,24+,25+,26-,28+/m0/s1

InChIKey: InChIKey=CWMUWKWZNUFEDY-LCFONYPQSA-N

Formula: C28H38O10

Molecular Weight: 534.6

Exact Mass: 534.2465

NMR Solvent: CDCl3

MHz: Not specified.

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 2.19 dd 7, 1.7
2 5.59 dd 6.1, 1.7
3 3.54 d 6.1
5 4.21 br s
6a 1.66 m
6b 1.93 ddd 13.6, 5.4, 2.6
7a 5.52 dd 11.5, 5.4
9 5.9 d 10.7
10 6.26 d 10.7
14a 2.3 d 19.7
14b 2.77 dd 19.7, 7
16 1.74 s
17 1.12 s
18 2.32 s
19 0.97 s
20a 4.81 s
20b 5.22 s
AcO 2.02 s
AcO 2.05 s
AcO 2.05 s
AcO 2.07 s

Carbon NMR Peaks

Position PPM
1 48.8
2 68.9
3 39.7
4 149.7
5 74.6
6 37.8
7 69.4
8 47.8
9 75.1
10 72.8
11 139.1
12 144.7
13 199.3
14 36.1
15 37.5
16 25.4
17 37.4
18 14.4
19 12.9
20 115.6
AcO 20.7
AcO 20.9
AcO 20.9
AcO 21.4
AcO 169.1
AcO 169.3
AcO 169.7
AcO 169.7