deaminoacyltaxine A

deaminoacyltaxine A

Common Name: deaminoacyltaxine A

Synonyms: 7β-deacetyl-5-decinnamoyltaxuspine B

CAS Registry Number:

InChI: InChI=1S/C24H34O8/c1-11-17(31-12(2)25)8-15-18(32-13(3)26)7-14-10-24(6,19(28)9-16(14)27)22(30)21(29)20(11)23(15,4)5/h7,15-19,21,27-29H,8-10H2,1-6H3/b14-7+/t15-,16-,17?,18?,19-,21+,24-/m0/s1

InChIKey: CYDOOPFWDIWLOT-WOCRUPCMSA-N

Formula: C24H34O8

Molecular Weight: 450.528

Exact Mass: 450.2254

NMR Solvent: CDCl3

MHz: 400 (1H); 125 (13C)

Calibration: TMS

NMR references: Appendino, G.

Cravotto, G.

Enriu, R.

Jakupovic, J.

Gariboldi, P.

Gabetta, B.

Bombardelli, E. Phytochemistry 1994, 36, 407.

Species: Taxus baccata needles and twigs from a public park in Monza, Italy

Notes: second source behind paywall, do not know MHz for 13C NMR

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.62 dd 7.6, 1.8
2 5.58 dd 9.8, 1.8
3α 1.85 br d 16
3β 2.66 br d 16
5 4.37 br d 7
6α 1.78 dd 14.6, 3.2
6β 2.21 ddd 14.6, 12.1, 7
7 4.05 br dd 12.1, 3.2
10 5.3 br s
13 5.34 br d 7
14α 1.92 d 16
14β 2.68 m
16 1.16 s
17 1.19 s
18 1.85 br s
19 1.24 s
20 5.69 br d 9.8
OAc 2.16 s
OAc 2.13 s

Carbon NMR Peaks

Position PPM
1 44.8
2 70.3
3 26.3
4 139.1
5 69.1
6 30.9
7 67.1
8 53.2
9 214.1
10 77
11 132.8
12 135.9
13 69.7
14 35.1
15 37.2
16 35.1
17 23.9
18 17.9
19 18.6
20 123.3