Taxuspine L

Taxuspine L

Common Name: Taxuspine L

Synonyms: (+)​-​Taxuspin L

CAS Registry Number: 173560-68-4

InChI: InChI=1S/C32H46O13/c1-14-23(40-15(2)34)11-22-28(43-18(5)37)27-21(13-33)24(41-16(3)35)12-25(42-17(4)36)32(27,10)30(45-20(7)39)29(44-19(6)38)26(14)31(22,8)9/h21-25,27-30,33H,11-13H2,1-10H3

InChIKey: InChIKey=NSFKWNXCHYPDIT-UHFFFAOYSA-N

Formula: C32H46O13

Molecular Weight: 638.7

Exact Mass: 638.2938

NMR Solvent: CDCl3

MHz:

Calibration: residual solvent 7.26 ppm and 77.0 ppm for proton and carbon respectively.

NMR references: Wang, X., Shigemori, H., and Kobayashi, J. (1996). Taxuspines K, L, and M, new taxoids from Japanese yew Taxus cuspidata. Tetrahedron 52, 2337–2342.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.98 m
2 5.44 dd 5.4, 2.1
3 2.75 t 5.4
4 2.06 m
5 5.11 d 2.4
6a 1.85 dd 5, 2.4
6b 2.66 m
7 5.4 dd 5.8, 5
9 5.86 d 11
10 6.17 d 11
13 5.93 t 8.3
14a 2.61 m
14b 1.46 m
16 1.74 s
17 1.14 s
18 2.23 s
19 0.85 s
20a 3.48 d 11.4
20b 3.41 dd 11.4, 7.4
CH3CO 2.24 s
CH3CO 2.11 s
CH3CO 2.09 s
CH3CO 2.04 s
CH3CO 2.02 s
CH3CO 1.97 s

Carbon NMR Peaks

Position PPM
1 47.83
2 70.4
3 39.73
4 46.47
5 71
6 29.91
7 69.59
8 45.57
9 75.62
10 71.74
11 134.58
12 137.74
13 70.71
14 27.85
15 37.73
16 31.55
17 26.95
18 14.92
19 14.03
20 64.36
CH3CO 170.36
CH3CO 170.12
CH3CO 169.86
CH3CO 169.83
CH3CO 169.7
CH3CO 169.16
CH3CO 21.73
CH3CO 21.51
CH3CO 21.39
CH3CO 20.97
CH3CO 20.92
CH3CO 20.75