Spektraris NMR
Taxchinin A
Common Name: Taxchinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-16-22(37)14-24(41-18(3)34)32(8)26(16)28(42-19(4)35)33(31(6,7)40)15-23(38)17(2)25(33)27(29(32)43-20(5)36)44-30(39)21-12-10-9-11-13-21/h9-13,22-24,26-29,37-38,40H,1,14-15H2,2-8H3/t22-,23-,24?,26-,27?,28?,29?,32+,33-/m0/s1
InChIKey: VETCXRGMQJYOHM-UBGPRPCHSA-N
Formula: C33H42O11
Molecular Weight: 614.282
Exact Mass: 614.2826
NMR Solvent: CH2Cl2
MHz: 400 (1H); 100 (13C)
Calibration: TMS
NMR references: Kaoru Fuji, Kiyoshi Tanaka, Bo Li, Tetsuro Shingu, Handong Sun, and Tooru Taga. Novel Diterpenoids from Taxus Chinensis. Journal of Natural Products 1993 56 (9), 1520-1531. DOI: 10.1021/np50099a010
Species: Taxus chinensis leaves and stems- collected November 1990 at Yunnan, China.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 6.07 | d | 9.2 |
| 3 | 3.37 | d | 9.2 |
| 5 | 4.34 | brs | |
| 6α | 2 | m | |
| 6β | 1.8 | m | |
| 7 | 5.49 | dd | 5, 11 |
| 9 | 6.02 | d | 10.6 |
| 10 | 6.56 | d | 10.6 |
| 13 | 4.47 | brt | 6.3 |
| 14α | 2.34 | dd | 7, 15 |
| 14β | 2 | m | |
| 16 | 1.1 | s | |
| 17 | 1.19 | s | |
| 18 | 2.11 | s | |
| 19 | 1.04 | s | |
| 20α | 4.6 | brs | |
| 20β | 5.19 | brs | |
| 2-AcO | 2 | s | |
| 7-AcO | 2.06 | s | |
| 9-AcO | 1.75 | s | |
| o-Ph | 7.86 | dd | 7.3 |
| m-Ph | 7.42 | m | |
| p-Ph | 7.55 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 68.5 |
| 2 | 67.5 |
| 3 | 42.2 |
| 4 | 143.7 |
| 5 | 74.5 |
| 6 | 37.2 |
| 7 | 69.3 |
| 8 | 45.2 |
| 9 | 76.1 |
| 10 | 69.6 |
| 11 | 133.3 |
| 12 | 152.9 |
| 13 | 77 |
| 14 | 40.6 |
| 15 | 75.6 |
| 16 | 25.6 |
| 17 | 27.7 |
| 18 | 12.2 |
| 19 | 13.4 |
| 20 | 113 |
