| produktnavn |
simalolid |
| Synonymer |
Simarolide; 24-Nor-16,17-sekokolan-16,23-diosyre, 11-(acetyloksy)-2,7,21-trihydroksy-4,8-dimetyl-1,17-diokso-, gamma-lakton deltalakton, (2alpha,4alpha,5alpha,7alpha,11alpha,13alpha,14beta,20R)-; (2alpha,11alpha)-2-hydroxy-1,16-dioxo-13-{[(3R)-5-oxotetrahydrofuran-3-yl]carbonyl}picrasan-11-yl acetate |
| Engelsk navn |
simarolide;Simarolide; 24-Nor-16,17-secocholane-16,23-dioic acid, 11-(acetyloxy)-2,7,21-trihydroxy-4,8-dimethyl-1,17-dioxo-, gamma-lactone delta-lactone, (2alpha,4alpha,5alpha,7alpha,11alpha,13alpha,14beta,20R)-; (2alpha,11alpha)-2-hydroxy-1,16-dioxo-13-{[(3R)-5-oxotetrahydrofuran-3-yl]carbonyl}picrasan-11-yl acetate |
| Molekyl?r Formel |
C27H36O9 |
| Molekylvekt |
504.5693 |
| InChI |
InChI=1/C27H36O9/c1-12-6-16(29)24(33)26(4)15(12)8-19-27(5)18(9-21(31)36-19)25(3,10-17(22(26)27)35-13(2)28)23(32)14-7-20(30)34-11-14/h12,14-19,22,29H,6-11H2,1-5H3/t12-,14-,15+,16+,17-,18+,19-,22-,25-,26+,27-/m1/s1 |
| CAS-nummer |
1260-58-8 |
| Molecular Structure |
|
| Tetthet |
1.31g/cm3 |
| Kokepunkt |
696°C at 760 mmHg |
| Brytningsindeks |
1.562 |
| Flammepunktet |
230.5°C |
| Damptrykk |
2.09E-22mmHg at 25°C |
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