Spektraris NMR
7ß,9α,10ß,13α-Tetraacetoxy-11(15→1)abeo-taxa-4(20),-11-diene-5α,15-diol
Common Name: 7ß,9α,10ß,13α-Tetraacetoxy-11(15→1)abeo-taxa-4(20),-11-diene-5α,15-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O10/c1-13-19-11-28(26(7,8)34)12-21(35-15(3)29)14(2)23(28)24(37-17(5)31)25(38-18(6)32)27(19,9)22(10-20(13)33)36-16(4)30/h19-22,24-25,33-34H,1,10-12H2,2-9H3/t19-,20+,21?,22?,24?,25?,27+,28+/m1/s1
InChIKey: CQMOEHZXFDQXDF-IPXHZRKTSA-N
Formula: C28H40O10
Molecular Weight: 575.2259
Exact Mass: 575.226
NMR Solvent: CDCL3
MHz: 500 MHz for 1H, 125 MHz for 13C
Calibration:
NMR references: Petzke, T. L.
Shi, Q. W.
Sauriol, F.
Mamer, O.
Zamir, L. O. J. Nat. Prod. 2004, 67, 1864
Species: Rooted cuttings of Taxus canadensis Marsh. (Taxaceae) in Quebec, Canada
Notes: calibration unknown
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2a | 2.35 | br s | 14.8, 9.6 |
| 2b | 1.43 | dd | 14 |
| 3 | 2.82 | br d | 9.4 |
| 5 | 4.33 | d | 2.6, 1.9 |
| 6a | 1.97 | br dd | |
| 6b | 1.79 | o m | |
| 7 | 5.56 | m | 11.1, 5.2 |
| 9 | 5.8 | dd | |
| 10 | 6.32 | br d | 8.9 |
| 13 | 5.46 | br t | 7 |
| 14a | 2.48 | dd | 13.9, 7.5 |
| 14b | 1.3 | o m | |
| 16 | 1.3 | s | |
| 17 | 1.1 | s | |
| 18 | 1.9 | s | |
| 19 | 0.85 | br d | |
| 20a | 5.11 | s | |
| 20b | 4.76 | br s | |
| OAc | 2.05 | s | |
| OAc | 2.03 | s | |
| OAc | 1.98 | s | |
| OAc | 1.96 | s | |
| OH | 2.73 | br |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 62.8 |
| 2 | 29.1 |
| 3 | 37.4 |
| 5 | 72.5 |
| 6 | 35.7 |
| 7 | 69.5 |
| 8 | 44.9 |
| 9 | 77.1 |
| 10 | 69.5 |
| 11 | 136.5 |
| 12 | 146.2 |
| 13 | 79.5 |
| 14 | 43.9 |
| 15 | 75.3 |
| 16 | 24.8 |
| 17 | 26.8 |
| 18 | 11.7 |
| 19 | 12.6 |
| 20 | 111.4 |
| OAc | 21169.8 |
| OAc | 21171 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.