Spektraris NMR
10β,13α-Diacetoxytaxa-4(20),11-diene-5α,9α,14β-triol
Common Name: 10β,13α-Diacetoxytaxa-4(20),11-diene-5α,9α,14β-triol
Synonyms:
CAS Registry Number: 1010416-84-8
InChI: InChI=1S/C24H36O7/c1-11-15-10-16-19(28)20(30-13(3)25)12(2)18(23(16,5)6)21(31-14(4)26)22(29)24(15,7)9-8-17(11)27/h15-17,19-22,27-29H,1,8-10H2,2-7H3/t15-,16-,17+,19-,20-,21-,22+,24-/m1/s1
InChIKey: InChIKey=PZDKBVVKIPWUKP-IHTYJVRPSA-N
Formula: C24H36O7
Molecular Weight: 436.54
Exact Mass: 436.2461
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Not mentioned.
NMR references: Shi, Q.-W., Dong, M., Huo, C.-H., Su, X.-H., Li, C.-F., Zhang, X.-P., Wang, Y.-F., and Kiyota, H. (2007). New 14-Hydroxy-taxane and 2alpha,20-Epoxy-11(15)abeotaxane from the Needles of Taxus canadensis. Bioscience, Biotechnology, and Biochemistry 71, 1777–1780.
Species: Taxus
Notes: Assignment for carbon at position 4 is missing.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 1.72 | m | |
| 2α | 1.88 | m | |
| 2β | 1.71 | m | |
| 3 | 2.97 | br d | 5.5 |
| 5 | 4.26 | t | 2.6 |
| 6α | 1.8 | m | |
| 6β | 1.64 | m | |
| 7 | 1.73 | m | |
| 9 | 4.16 | d | 10 |
| 10 | 5.88 | d | 10 |
| 13 | 5.4 | br s | |
| 14 | 3.53 | d | 3.3 |
| 16 | 1.08 | s | |
| 17 | 1.48 | s | |
| 18 | 2.13 | d | 1 |
| 19 | 0.88 | s | |
| 20a | 5.08 | s | |
| 20b | 4.72 | s | |
| 10-OAc | 2.11 | s | |
| 13-OAc | 2.14 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 49.1 |
| 2 | 26.3 |
| 3 | 37 |
| 5 | 74.3 |
| 6 | 29.9 |
| 7 | 25.1 |
| 8 | 43.7 |
| 9 | 76.6 |
| 10 | 76.1 |
| 11 | 138.1 |
| 12 | 134.5 |
| 13 | 82.2 |
| 14 | 79.7 |
| 15 | 39.9 |
| 16 | 31.9 |
| 17 | 26.6 |
| 18 | 15.5 |
| 19 | 17.3 |
| 20 | 110.9 |
| 10-OAc | 21.2 |
| 10-OAc | 170.2 |
| 13-OAc | 21 |
| 13-OAc | 172.4 |
