Common Name: 2-Deacetoxydecinammoyltaxinine J
Synonyms: 2-Deacetoxy-5α-decinnamoyltaxinine J
CAS Registry Number: 87193-98-4
InChI: InChI=1S/C28H40O9/c1-13-20-10-19-11-22(34-15(3)29)14(2)24(27(19,7)8)25(36-17(5)31)26(37-18(6)32)28(20,9)23(12-21(13)33)35-16(4)30/h19-23,25-26,33H,1,10-12H2,2-9H3/t19-,20-,21+,22+,23+,25-,26+,28+/m1/s1
InChIKey: InChIKey=WOKHREABHMWBBE-CNZAUHOSSA-N
Formula: C28H40O9
Molecular Weight: 520.61
Exact Mass: 520.2672
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:
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1 | 1.78 | m | |
2α | 1.72 | m | |
2β | 1.88 | m | |
3α | 3.2 | br d | 5.4 |
5 | 4.28 | t | 3 |
6α | 1.95 | m | |
6β | 1.65 | m | |
7α | 5.67 | dd | 11.6, 5.4 |
9 | 5.81 | d | 10.8 |
10 | 6.25 | d | 10.8 |
13 | 5.72 | ddq | 10.4, 4.7, 1.4 |
14α | 1.08 | dd | 15.2, 4.7 |
14β | 2.77 | ddd | 15.7, 10.7, 8.5 |
16 | 1.55 | s | |
17 | 0.98 | s | |
18 | 2.18 | d | 1.4 |
19 | 0.79 | s | |
20A | 5.16 | d | 1.2 |
20B | 4.83 | d | 1.6 |
Ac | 2.05 | s | |
Ac | 2.04 | s | |
Ac | 2.01 | s | |
Ac | 1.96 | s |
Position | PPM |
---|---|
1 | 39.6 |
2 | 26.9 |
3 | 35.5 |
4 | 151.4 |
5 | 73.3 |
6 | 36 |
7 | 69.8 |
8 | 46.7 |
9 | 76.6 |
10 | 72.1 |
11 | 135.9 |
12 | 137.7 |
13 | 70 |
14 | 32.3 |
15 | 38.9 |
16 | 26.2 |
17 | 32.1 |
18 | 15.9 |
19 | 12.6 |
20 | 112.6 |
CH3CO | 21.4 |
CH3CO | 21 |
CH3CO | 20.9 |
CH3CO | 20.8 |
CH3CO | 170.3 |
CH3CO | 170 |
CH3CO | 169.6 |
CH3CO | 169.2 |