Spektraris NMR
2α-Deacetyl-5α-decinnamoyltaxagifin
Common Name: 2α-Deacetyl-5α-decinnamoyltaxagifin
Synonyms: 2-Deacetyl-5-de(cinnamoyl)taxagifin
CAS Registry Number: 135996-82-6
InChI: InChI=1S/C26H36O11/c1-11-16(30)9-18(35-12(2)27)24(6)19(11)20(32)15-8-17(31)25(7)26(33,23(15,5)10-34-25)22(37-14(4)29)21(24)36-13(3)28/h15-16,18-22,30,32-33H,1,8-10H2,2-7H3/t15-,16-,18-,19-,20+,21-,22-,23-,24+,25+,26-/m0/s1
InChIKey: InChIKey=HOVZKJLKUYBNDD-DELXVENHSA-N
Formula: C26H36O11
Molecular Weight: 524.56
Exact Mass: 524.2258
NMR Solvent: CDCl3
MHz: 400.0
Calibration: TMS
NMR references: Zongping, Z., and Zhongjian, J. (1991). Taxanes from Taxus chinensis. Phytochemistry 30, 2345–2348.
Species: Taxus
Notes: Carbon NMR data not available.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1β | 2.77 | dd | 11, 1 |
| 2β | 4.23 | dd | 9, 1 |
| 3α | 3.34 | d | 9 |
| 5 | 4.43 | t | 3 |
| 6α | 2.15 | m | |
| 6β | 1.59 | ddd | 14.5, 10.5, 3 |
| 7α | 5.29 | dd | 10.5, 6 |
| 9β | 4.93 | d | 3 |
| 10α | 5.26 | d | 3 |
| 14α | 2.73 | d | 18.4 |
| 14β | 3.06 | dd | 18.4, 11 |
| 16 | 3.78 | d | 8 |
| 16' | 4.17 | d | 8 |
| 17 | 1.47 | s | |
| 18 | 1.13 | s | |
| 19 | 1.05 | s | |
| 20 | 5.17 | s | |
| 20' | 5.5 | s | |
| OAc | 1.97 | s | |
| OAc | 2.09 | s | |
| OAc | 2.11 | s |
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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.