Spektraris NMR
10-Deacetyl-7-xylosyltaxol B
Common Name: 10-Deacetyl-7-xylosyltaxol B
Synonyms: 7-Xylosyl-10-deacetylcephalomannine
CAS Registry Number: 90332-64-2
InChI: InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29+,30+,31-,33+,34+,35-,36-,37-,38+,40+,44+,46-,47+,48-/m1/s1
InChIKey: InChIKey=YAOWLIDDDUBAEI-ZVZSAYPQSA-N
Formula: C48H59N1O17
Molecular Weight: 921.98
Exact Mass: 921.3783
NMR Solvent: DMSO
MHz: 400.0
Calibration: TMS
NMR references: Sénilh, V., Blechert, S., Colin, M., Guénard, D., Picot, F., Potier, P., and Varenne, P. (1984). Mise en Évidence de Nouveaux Analogues du Taxol Extraits de Taxus baccata. J. Nat. Prod. 47, 131–137.
Species: Taxus
Notes: Reference article in French language, no 13C NMR found. Positions with '' refer to protons on xylosyl side chain. See literature for further details.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.56 | d | 7 |
| 3 | 3.85 | d | 7 |
| 5 | 5.02 | d | 9 |
| 6 | 1.94 | m | |
| 6 | 2.66 | m | |
| 7 | 4.19 | m | |
| 10 | 5.39 | s | |
| 13 | 6.06 | t | 9 |
| 14 | 2.28 | m | |
| 16 | 1.2 | s | |
| 17 | 1.15 | s | |
| 18 | 1.91 | s | |
| 19 | 1.75 | ||
| 20 | 4.19 | m | |
| 20 | 4.19 | m | |
| OAc | 2.4 | s | |
| 2' | 4.62 | d | 3 |
| 3' | 5.45 | dd | 9, 3 |
| 3'Ph | 7.44 | ||
| NH | 7.92 | d | 9 |
| 1'' | 4.1 | d | 7 |
| 2'' | 3.2 | m | |
| 3'' | 3.4 | t | 8 |
| 4'' | 3.5 | m | |
| 5'' | 3.2 | m | |
| 5'' | 3.8 | m |
