Common Name: 5-Cinnamoyl-9,10-di-O-acetyltaxicin I
Synonyms: 5-Cinnamoyl-9,10-diacetyltaxicin I
CAS Registry Number: 156497-29-9
InChI: InChI=1S/C33H40O9/c1-18-23(36)17-33(39)29(38)27-19(2)24(42-25(37)14-13-22-11-9-8-10-12-22)15-16-32(27,7)30(41-21(4)35)28(40-20(3)34)26(18)31(33,5)6/h8-14,24,27-30,38-39H,2,15-17H2,1,3-7H3/b14-13+/t24-,27-,28+,29-,30-,32+,33+/m0/s1
InChIKey: InChIKey=FFNIJPKAAWGXFJ-CLBJOLCOSA-N
Formula: C33H40O9
Molecular Weight: 580.67
Exact Mass: 580.2672
NMR Solvent: CDCl3
MHz: 400.0
Calibration: TMS
NMR references: Appendino, G., Cravotto, G., Enriù, R., Jakupovic, J., Gariboldi, P., Gabetta, B., and Bombardell, E. (1994). Rearranged taxanes from Taxus baccata. Phytochemistry 36, 407–411.
Species: Taxus
Notes: Protons at positions 6 and 7 were not assigned due to peak overlap according to reference.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
2 | 4.14 | t | 7 |
3α | 3.41 | d | 7 |
5 | 5.33 | br s | |
9 | 5.9 | d | 9.9 |
10 | 6.1 | d | 9.9 |
14 | 2.72 | br s | |
16 | 1.67 | s | |
17 | 1.29 | s | |
18 | 2.28 | br s | |
19 | 1 | s | |
20 | 5.5 | br s | |
Ac | 2.1 | s | |
Ac | 2.08 | s |