14-Deacetoxytaxuyunnanine C

14-Deacetoxytaxuyunnanine C

Common Name: 14-Deacetoxytaxuyunnanine C

Synonyms: 2α,5α,10β-Triacetoxytaxa-4(20),11(12)-diene

CAS Registry Number: 444307-63-5

InChI: InChI=1S/C26H38O6/c1-14-9-10-19-24(32-18(5)29)23-15(2)20(30-16(3)27)11-12-26(23,8)13-21(31-17(4)28)22(14)25(19,6)7/h19-21,23-24H,2,9-13H2,1,3-8H3/t19-,20-,21-,23-,24+,26-/m0/s1

InChIKey: InChIKey=SWONFRKOCZLVGR-FIXWLCJPSA-N

Formula: C26H38O6

Molecular Weight: 446.57

Exact Mass: 446.26684

NMR Solvent: CDCl3

MHz: 500.0

Calibration: TMS

NMR references: Zhang, M., Yin, D., Guo, J.-Y., and Liang, X.-T. (2005). Synthesis of 7,9-dideoxybaccatin IV analogs from sinenxan A. Tetrahedron 61, 5519–5527.

Species: Taxus

Notes: Relative stereochemistry not reported in literature reference. Multiplets reported in literature as ranges were changed to center of the multiplet ppm values.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.8 m
2 5.38 dd 6.3, 2
3 3.08 d 6
5 5.27 t 3
6 1.8 m
7 1.23 m
7 1.98 m
9 1.58 m
9 2.37 dd 14.5, 12
10 6.06 dd 12.3, 5.3
13 1.98 m
13 2.42 m
14 1.98 m
14 1.67 m
16 1.59 s
17 1.05 s
18 2.06 s
19 0.85 s
20 5.25 s
20 4.89 s
OAc-CH3 2.12 s
OAc-CH3 2.04 s
OAc-CH3 2.03 s

Carbon NMR Peaks

Position PPM
1 52
2 72.3
3 41.2
4 144.4
5 78.7
6 29
7 33.7
8 39.7
9 43.8
10 70.5
11 133.9
12 137
13 30.1
14 18.3
15 37.1
16 25.3
17 31.7
18 21.2
19 22.5
20 116.4
OAc-C=O 170.2
OAc-C=O 169.6
OAc-C=O 169.6
OAc-CH3 22
OAc-CH3 21.7
OAc-CH3 21.7