Spektraris NMR
2α,7β-diacetoxy-5α,10β,13α-trihydroxy-2(3→20)abeotaxa-4(20),11-dien-9-one
Common Name: 2α,7β-diacetoxy-5α,10β,13α-trihydroxy-2(3→20)abeotaxa-4(20),11-dien-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O8/c1-11-16(27)8-15-18(31-12(2)25)7-14-10-24(6,19(9-17(14)28)32-13(3)26)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: JAOUGVQHSBJSPJ-RTUUDMFUSA-N
Formula: C24H34O8
Molecular Weight: 450.528
Exact Mass: 450.2254
NMR Solvent: CDCl3
MHz: 300 and 500 (1H); 125 (13C)
Calibration: TMS
NMR references: Shi, Q. W.
Oritani, T.
Sugiyama, T. Three rearranged 2(3→20) abeotaxanes from the bark of Taxus mairei Phytochemistry 1999, 52, 1559
Species: Taxus mairei bark collected from the Jiangxi Province in the southeast of China in the autumn of 1995
Notes: 13C NMR data unknown
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.73 | dd | 1.9, 6.82 |
| 2 | 5.72 | dd | 9.62, 1.9 |
| 3α | 2.75 | d | 15.66 |
| 3β | 1.92 | d | 15.66 |
| 5 | 4.49 | br s | |
| 6α | 2.1 | m | |
| 6β | 1.95 | m | |
| 7 | 5.13 | dd | 12.36, 5.37 |
| 10 | 5.32 | d | 3 |
| 13 | 4.24 | m | |
| 14α | 2.1 | m | |
| 14β | 2.49 | br dd | 17.21, 9.07 |
| 16 | 1.16 | s | |
| 17 | 1.19 | s | |
| 18 | 1.92 | d | 1.1 |
| 19 | 1.26 | s | |
| 20 | 5.56 | br d | 9.62 |
| 10-OH | 4.18 | d | 3 |
| 2-OAc | 2.19 | s | |
| 7-OAc | 2 | s |
