Spektraris NMR
2α-acetoxy-9α-benzoyloxy-5α,7β,10β,15-tetrahydroxy-11(15→1)abeotaxa-4(20),11-dien-13-one
Common Name: 2α-acetoxy-9α-benzoyloxy-5α,7β,10β,15-tetrahydroxy-11(15→1)abeotaxa-4(20),11-dien-13-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O9/c1-14-18(31)12-20(33)28(6)22(14)24(37-16(3)30)29(27(4,5)36)13-19(32)15(2)21(29)23(34)25(28)38-26(35)17-10-8-7-9-11-17/h7-11,18,20,22-25,31,33-34,36H,1,12-13H2,2-6H3/t18-,20-,22-,23+,24?,25?,28+,29-/m0/s1
InChIKey: UQYLAJTXHQHIIU-DHYUBRMCSA-N
Formula: C29H36O9
Molecular Weight: 529.2438
Exact Mass: 529.2449
NMR Solvent: CD3OD
MHz: 400 (1H); 100 (13C)
Calibration: TMS
NMR references: Nguyen, N. T.
Banskota, A. H.
Tezuka, Y.
Nobukawa, T.
Kadota, S. Phytochemistry 2003, 64, 1141.
Species: Taxus yunnanensis Cheng et L.K. Fu bark collected from Mt. Laojunshan at an altitude of 3800 m, 100 km west of Lijang City in Yunnan Province, China on October 2000.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.04 | d | |
| 3 | 2.81 | d | |
| 5 | 4.5 | dd | |
| 6α | 1.99 | m | |
| 6β | 1.95 | m | |
| 7 | 3.61 | dd | |
| 9 | 5.26 | br s | |
| 10 | 5.26 | br s | |
| 14α | 2.77 | d | |
| 14β | 2.42 | d | |
| 16 | 1.15 | s | |
| 17 | 0.82 | s | |
| 18 | 1.34 | s | |
| 19 | 1.52 | s | |
| 20α | 5.33 | s | |
| 20β | 4.73 | br s | |
| OAc | 1.91 | br s | |
| OBz 2', 6' | 7.8 | br d | |
| OBz 3', 5' | 7.37 | dd | |
| OBz 4' | 7.51 | tt |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 64.3 |
| 2 | 70 |
| 3 | 47.6 |
| 4 | 149 |
| 5 | 66.9 |
| 6 | 40 |
| 7 | 69.6 |
| 8 | 46.1 |
| 9 | 78.7 |
| 10 | 70 |
| 11 | 167.6 |
| 12 | 145.4 |
| 13 | 209.5 |
| 14 | 45 |
| 15 | 76 |
| 16 | 27.6 |
| 17 | 28.6 |
| 18 | 9.3 |
| 19 | 13.9 |
| 20 | 113.9 |
