Taxawallin G

Taxawallin G

Common Name: Taxawallin G

Synonyms: 5α,10β,13α-Triacetoxytaxa-4(20),11-diene-1β,7β,9α-triol

CAS Registry Number: 172430-74-9

InChI: InChI=1S/C26H38O9/c1-12-17-10-26(32)11-19(34-15(4)28)13(2)21(24(26,6)7)22(35-16(5)29)23(31)25(17,8)20(30)9-18(12)33-14(3)27/h17-20,22-23,30-32H,1,9-11H2,2-8H3

InChIKey: InChIKey=DCJIAHGHYNSCLY-UHFFFAOYSA-N

Formula: C26H38O9

Molecular Weight: 494.57

Exact Mass: 494.2516

NMR Solvent: CDCl3

MHz: Not reported

Calibration: Not reported

NMR references: Zhang, J.Z., Fang, Q.C., Liang, X.T., Kong, M., and He, W.Y. (1995). Two new taxoids from the needles of Taxus wallichiana Zucc. Chin. Chem. Lett. 6, 967–970.

Species: Taxus

Notes: Relative stereochemistry not established in literature.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 1.87 dd 15.3, 6.1
2 1.77 dd 14.7
3 2.77 d 5
5 5.41 t 3
6 2.1 m
6 1.69 m
7 4.32 dd 11.3, 5
9 4.46 d 10.6
10 6.08 d 10.6
13 6.06 t 8
14 2.48 dd 15, 9.6
14 1.58 dd 15, 7.4
16 1.21 s
17 1.49 s
18 2.11 s
19 1.03 s
20 5.29 s
20 4.97 s
OAc-Me 2.15 s
OAc-Me 2.13 s
OAc-Me 2.07 s

Carbon NMR Peaks

Position PPM
1 76.1
2 37.4
3 40
4 145.8
5 75.3
6 36.6
7 70.5
8 46.2
9 78.7
10 71.3
11 135
12 139
13 70.9
14 41.1
15 43.8
16 27.3
17 22.3
18 14.9
19 13
20 113.7
OAc-C=O 169.8
OAc-C=O 170.2
OAc-C=O 170.4
OAc Me 21
OAc Me 21.2
OAc Me 21.3