Spektraris NMR
Taxchinin K
Common Name: Taxchinin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H48O14/c1-22-29(51-23(2)43)20-41(39(6,7)49)32(22)33(54-37(47)27-15-11-9-12-16-27)35(55-38(48)28-17-13-10-14-18-28)40(8)30(52-24(3)44)19-31-42(21-50-31,56-26(5)46)34(40)36(41)53-25(4)45/h9-18,29-31,33-36,49H,19-21H2,1-8H3/t29?,30?,31-,33?,34+,35?,36?,40-,41+,42?/m1/s1
InChIKey: WNYYQGDIFIYCSD-YHKGNMQSSA-N
Formula: C42H46O13
Molecular Weight: 758.2939
Exact Mass: 758.297
NMR Solvent: CHCl3
MHz: 200 (1H); 50 (13C)
Calibration: TMS
NMR references: Kaoru Fuji, Kiyoshi Tanaka, Bo Li, Tetsuro Shingu, Toshio Yokoi, Hangdong Sun, Tooru Taga. Structures of nine new diterpenoids from Taxus chinensis. Tetrahedron, Volume 51, Issue 37, 1995, Pages 10175-10188. ISSN 0040-4020. https://doi.org/10.1016/0040-4020(95)00607-A.
Species: Taxus chinensis leaves and stems
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.26 | d | 7.4 |
| 3 | 3.06 | d | 7.4 |
| 5 | 5.01 | d | 7.3 |
| 6 | 2.7 | m | |
| 7 | 5.63 | m | |
| 9 | 6.48 | d | 11 |
| 10 | 6.73 | d | 11 |
| 13 | 5.63 | m | |
| 14β | 2.34 | dd | 7.4, 14.3 |
| 16 | 1.24 | s | |
| 17 | 1.21 | s | |
| 18 | 1.94 | s | |
| 19 | 1.8 | s | |
| 20α | 4.5 | d | 7.6 |
| 20β | 4.53 | d | 7.6 |
| 15-OH | 2.62 | brs | |
| AcO | 2.13 | s | |
| AcO | 2.04 | s | |
| AcO | 1.84 | s |
