2,10-Di-O-acetyl-5-decinnamoyltaxicin I

2,10-Di-O-acetyl-5-decinnamoyltaxicin I

Common Name: 2,10-Di-O-acetyl-5-decinnamoyltaxicin I

Synonyms:

CAS Registry Number: 161956-25-8

InChI: InChI=1S/C24H34O8/c1-11-15(27)8-9-23(7)18(11)21(32-14(4)26)24(30)10-16(28)12(2)17(22(24,5)6)19(20(23)29)31-13(3)25/h15,18-21,27,29-30H,1,8-10H2,2-7H3/t15-,18-,19+,20-,21-,23+,24+/m0/s1

InChIKey: InChIKey=NNYZFUFSYIIDMT-FAIKVZCCSA-N

Formula: C24H34O8

Molecular Weight: 450.52

Exact Mass: 450.2254

NMR Solvent: CDCl3

MHz: 300.0

Calibration: TMS

NMR references: Barboni, L., Gariboldi, P., Appendino, G., Enriù, R., Gabetta, B., and Bombardelli, E. (1995). New taxoids from Taxus baccata L. Liebigs Annalen 1995, 345–349.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2β 5.55 d 5.8
3α 3.73 d 5.8
5 4.18 br t 3
6α 1.8 m
6β 1.65 m
7α 1.79 m
7β 1.65 m
9 4.35 d 9.8
10 5.95 d 9.8
14α 2.83 d 19.5
14β 2.61 d 19.5
16 1.57 s
17 1.21 s
18 2.23 s
19 1.09 s
20A 5.13 s
20B 4.74 s
Ac 2.15 s
Ac 2.17 s

Carbon NMR Peaks

Position PPM
1 78.2
2 72.5
3 43.6
4 147.5
5 77.2
6 30.7
7 25.2
8 45.3
9 75.5
10 76.3
11 152.1
12 140.4
13 199.4
14 44.1
15 43
16 20.1
17 34
18 13.9
19 17.4
20 113.6
CH3CO 21.4
CH3CO 21.2
CH3CO 171.7
CH3CO 170.1