Teixidol

Teixidol

Common Name: Teixidol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H40O10/c1-13-19(33)10-11-27(9)22(13)24(37-17(5)31)28(26(7,8)34)12-20(35-15(3)29)14(2)21(28)23(36-16(4)30)25(27)38-18(6)32/h19-20,22-25,33-34H,1,10-12H2,2-9H3/t19-,20?,22-,23?,24?,25?,27+,28-/m0/s1

InChIKey: GIBDQJXCQKGHJG-KQOWZVPXSA-N

Formula: C28H40O10

Molecular Weight: 536.6096

Exact Mass: 536.0878

NMR Solvent: CHCl3

MHz: 300 (1H); 300 (13C)

Calibration: TMS

NMR references: Javier Soto, Monica Fuentes, Luis Castedo. Teixidol, an abeo-taxane from european yew, Taxus baccata. Phytochemistry, Volume 43, Issue 1, 1996, Pages 313-314, ISSN 0031-9422. https://doi.org/10.1016/0031-9422(96)00246-4.

Species: Taxus baccata leaves- collected at Santaigo de Compostela in March 1992

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.9 d 9.2
3 3.42 d 9.2
5 4.23 sbr
6 1.6 mbr
7 1.73 mbr
9 5.73 d 10
10 6.15 d 10
13 5.5 t 7.15
14α 2.35 dd 7.5, 15
14β 1.9 dd 7.4, 15
16 1.17 s
17 1.15 s
18 1.84 s
19 0.93 s
20α 5.08 s
20β 4.44 s
AcO 2.05 s
AcO 2 s
AcO 1.98 s
AcO 1.97 s

Carbon NMR Peaks

Position PPM
1 68.74
2 68.58
3 43.65
4 146.55
5 75.5
6 37.51
7 30.38
8 42.4
9 76.89
10 69.1
11 146.83
12 136.02
13 79.23
14 36.81
15 75.37
16 25.37
17 27.65
18 11.09
19 17.05
20 111.3