Spektraris NMR
5α,7ß,10ß,13α-Tetrahydroxy-2α,9α,15-triacetoxy-11(15→1)-abeo-taxa4(20),11-diene
Common Name: 5α,7ß,10ß,13α-Tetrahydroxy-2α,9α,15-triacetoxy-11(15→1)-abeo-taxa4(20),11-diene
Synonyms: 2α,9α,15-triacetoxy-11(15f1)abeotaxa-4(20),11-diene-5α,7β,10β,13α-tetraol
CAS Registry Number:
InChI: InChI=1S/C26H38O10/c1-11-16(30)9-18(32)25(8)20(11)22(34-13(3)27)26(24(6,7)36-15(5)29)10-17(31)12(2)19(26)21(33)23(25)35-14(4)28/h16-18,20-23,30-33H,1,9-10H2,2-8H3/t16-,17-,18-,20-,21+,22?,23?,25+,26-/m0/s1
InChIKey: SPZNJROAHQUYLY-LETOEWKXSA-N
Formula: C26H38O10
Molecular Weight: 510.2779
Exact Mass: 510.2787
NMR Solvent: CD3OD
MHz: 500 (1H); 75 (13C)
Calibration:
NMR references: Choudhary, M. I.
Khan, A. M.
Habib-Ur-Rehman; Atta-UrRahman; Ashraf, M. Chem. Pharm. Bull. 2002, 50, 1488
Species: Taxus wallichiana Zucc. bark collected from Hainah in Leepa Valley, 2900 m above the sea level, District Muzaffarabad, Azad Kashmir (Pakistan) in December, 1996.
Notes: Do not know what was used for NMR callibration
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.83 | d | 9.5 |
| 3 | 3.04 | d | 9.5 |
| 5 | 4.8 | dd | 8.5, 6 |
| 6α | 1.71 | m | |
| 6β | 2.02 | m | |
| 7 | 4.59 | dd | 9.5, 7.5 |
| 9 | 4.86 | d | 4 |
| 10 | 4.76 | d | 4 |
| 13 | 4.52 | t | 7.5 |
| 14α | 1.7 | overlapping signal | |
| 14β | 2.3 | dd | 14.5, 7 |
| 16 | 1.04 | s | |
| 17 | 1.19 | s | |
| 18 | 1.7 | s | |
| 19 | 1.56 | s | |
| 20α | 4.9 | br s | |
| 20β | 5.4 | br s | |
| OAc | 1.92 | s | |
| OAc | 1.93 | s | |
| OAc | 1.95 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 67.3 |
| 2 | 71.7 |
| 3 | 45.9 |
| 4 | 149.3 |
| 5 | 68.8 |
| 6 | 36.6 |
| 7 | 72.7 |
| 8 | 43 |
| 9 | 77.4 |
| 10 | 66.5 |
| 11 | 135 |
| 12 | 148.8 |
| 13 | 77.9 |
| 14 | 41.7 |
| 15 | 76.3 |
| 16 | 21 |
| 17 | 21.7 |
| 18 | 12.7 |
| 19 | 14.9 |
| 20 | 114.1 |
