Decinnamoyltaxinine E

Decinnamoyltaxinine E

Common Name: Decinnamoyltaxinine E

Synonyms: 2α,9α,10β,13α-tetraacetoxytaxa-4(20),11-dien-5α-ol

CAS Registry Number: 218937-15-6

InChI: InChI=1S/C28H40O9/c1-13-20(33)10-11-28(9)23(13)24(35-16(4)30)19-12-21(34-15(3)29)14(2)22(27(19,7)8)25(36-17(5)31)26(28)37-18(6)32/h19-21,23-26,33H,1,10-12H2,2-9H3/t19-,20-,21-,23-,24+,25+,26-,28+/m0/s1

InChIKey: InChIKey=UVSUZWKQQLMVQV-CTSKXOHZSA-N

Formula: C28H40O9

Molecular Weight: 520.61

Exact Mass: 520.2672

NMR Solvent: CDCl3

MHz: 300.0

Calibration: not reported

NMR references: Chen, Y.-J., Chen, C.-Y., and Shen, Y.-C. (1999). New Taxoids from the Seeds of Taxus chinensis. J. Nat. Prod. 62, 149–151.

Species: Taxus

Notes: Stereochemistry not reported. 2 overlapping acetate methyl signals at 2.05ppm.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.83 m
2 5.46 dd 7.5, 6
3 3.56 d 6
5 4.24 br s
6 1.6 m
6 1.8 m
9 6.07 d 10.5
10 5.8 d 10.5
13 5.75 dd 10.5, 4.8
14 1.52 dd 15.6, 5
14 2.64 ddd 15.6, 10.5, 7.8
16 1.03 s
17 0.86 s
18 2.15 s
19 1.71 s
20 5.24 br s
20 4.84 br s
OAc 2.01 s
OAc 2.05 s
OAc 2.05 s
OAc 2.11 s

Carbon NMR Peaks

Position PPM
1 47.7
2 72.7
3 41.5
4 147
5 69.7
6 30.2
7 26.4
8 44.7
9 76.4
10 71.5
11 134.2
12 137.9
13 77.2
14 28.6
15 37.1
16 32.2
17 25.8
18 15.8
19 17.3
20 115.2
Ac 170.6
Ac 170.1
Ac 170
Ac 169.4
Ac 20.7
Ac 21
Ac 21
Ac 21.4