|
|
|
| Year of first report: | 2004 |
| Formula: | C27H42O8 |
| Molecular weight: | 494 |
| Occurence in plants: |
Serratula wolffii [Asteraceae] »  ![Wikipedia: <br />
<b>Warning</b>: preg_replace() [<a href='function.preg-replace'>function.preg-replace</a>]: No ending delimiter '&' found in <b>/usr/local/www/apache22/data/ecdybase.org/www/sheet.inc</b> on line <b>53</b><br />](/images/wikipedia.png)
|
| Occurence in animals: |
|
|
|
| |
| FAB-MS m/z (relative intensity %) | 495 [M+H]+ (9), 477 [M+H-H2O]+ (10), 459 [M+H-2H2O]+ (23), 443 (26), 440 (11), 422 (8), 407 (49), 394 (17), 378 (9), 361 (26), 359 (10), 323 (18), 300 (100), 199 (11) | | EI-MS m/z (relative intensity %) | | | HRE-SIMS m/z | 494.2885 (calculated 494.2880 for C27H42O8) |
|
|
| CD3OD | | 01 | 34.5 | | 02 | 68.6 | | 03 | 70.3 | | 04 | 39.2 | | 05 | 80.5 | | 06 | 203.1 | | 07 | 117.9 | | 08 | 156.5 | | 09 | 137.9 | | 10 | 46.4 | | 11 | 134.3 | | 12 | 39.2 | | 13 | 48.0 | | 14 | 84.5 | | 15 | 31.5 | | 16 | 21.8 | | 17 | 50.7 | | 18 | 18.2 | | 19 | 26.5 | | 20 | 77.8 | | 21 | 20.9 | | 22 | 78.6 | | 23 | 27.5 | | 24 | 42.5 | | 25 | 71.4 | | 26 | 29.1 | | 27 | 29.9 |
| DMSO-d6 | | 01 | | | 02 | | | 03 | | | 04 | | | 05 | 78.4 | | 06 | | | 07 | 116.5 | | 08 | | | 09 | 136.3 | | 10 | | | 11 | 131.7 | | 12 | 37.5 | | 13 | 46.3 | | 14 | 82.0 | | 15 | | | 16 | 20.4 | | 17 | 48.7 | | 18 | 17.3 | | 19 | 25.8 | | 20 | 75.5 | | 21 | 20.7 | | 22 | 76.3 | | 23 | 26.1 | | 24 | 41.4 | | 25 | 68.7 | | 26 | 29.0 | | 27 | 30.0 |
|
| CD3OD | | 01-Ha | 2.05 | | 01-He | 2.05 | | 02-Ha | 3.83 (ddd, 10.7, 5.4, 3.2) | | 03-He | 3.88 (q, 3.0) | | 04-Ha | 1.77 (dd, ?, 3.4) | | 04-He | 1.92 (dd, 14.5, 2.8) | | 05-H | - | | 07-H | 5.83 (t, 1.2) | | 09-H | - | | 11-H | 6.34 (dt, 6.7, 2.0) | | 12-Ha | 2.726 (dd, 18.0, 1.8) | | 12-He | 2.436 (dd, 18.2, 6.7) | | 15-Ha | 1.80 | | 15-Hb | 1.98 | | 16-Ha | 1.79 | | 16-Hb | 1.99 | | 17-H | 2.49 (t, 9.0) | | 18-Me | 0.90 (s) | | 19-Me | 1.05 (s) | | 21-Me | 1.208 (s) | | 22-H | 3.35 (dd, 10.3, 1.8) | | 23-Ha | 1.30 | | 23-Hb | 1.68 | | 24-Ha | 1.44 (ddd, 13.3, 11.6, 4.2) | | 24-Hb | 1.81 | | 26-Me | 1.19 (s) | | 27-Me | 1.206 (s) |
| DMSO-d6 | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | 5.65 (s) | | 09-H | | | 11-H | 6.18 (s, br) | | 12-Ha | 2.59 (d, 17.8) | | 12-He | 2.29 (dd, 17.8, 6.6) | | 15-Ha | | | 15-Hb | | | 16-Ha | 1.60* | | 16-Hb | 1.89* | | 17-H | 2.36 (t, 9.3) | | 18-Me | 0.77 (s) | | 19-Me | 0.96 (s, b) | | 21-Me | 1.075 (s) | | 22-H | 3.13 (d, 10.2) | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.06 (s) | | 27-Me | 1.09 (s) |
|
| |
| M.P. | 218 °C (dec.) ; | | [α]D28 | + 59 ° (c 0.1 ; DMSO) | | IR (KBr) ν max (cm-1) | 3560-3200, 1650, 1602 | | UV (MeOH) λ max (log ε) | 296 (4.02) ; |
| |
| LC | Low pressure RP, MeOH-H2O (45:55) | | HPLC | NP on silica (Zorbax-SIL), solvent CH2Cl2-iPrOH-H2O (125:40:3) | | GLC | | | TLC | |
| |
| |
| |
Permanent link to this datasheet: HERKESTERONE
|
|
