| Name |
Scammonin I
(-)-Scammonin I |
| Formula |
C50H84O21 |
| Mw |
1020.55050975 |
| CAS RN |
131747-25-6 |
| C_ID |
C00049593
, 
|
| InChIKey |
DGRGOOVTCYVEDQ-JCZLSYGZNA-N |
| InChICode |
InChI=1S/C50H84O21/c1-9-12-18-21-30-22-19-16-14-13-15-17-20-23-32(52)66-43-40(69-47-38(58)37(57)39(28(7)62-47)67-45(59)25(4)10-2)29(8)63-50(44(43)68-46(60)26(5)11-3)71-42-36(56)34(54)31(24-51)65-49(42)70-41-35(55)33(53)27(6)61-48(41)64-30/h10,26-31,33-44,47-51,53-58H,9,11-24H2,1-8H3/b25-10+/t26-,27+,28+,29-,30-,31+,33+,34+,35-,36-,37+,38+,39+,40-,41+,42+,43+,44+,47-,48-,49-,50-/m0/s1 |
| SMILES |
[C@H]12O[C@H]3[C@H](O[C@H](CCCCCCCCCC(=O)O[C@H]4[C@@H](OC(=O)[C@@H](C)CC)[C@H](O[C@@H]1[C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]([C@@H]4O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)OC(=O)/C(=C/C)/C)C)C)CCCCC)O[C@@H]([C@H]([C@@H]3O)O)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Convolvulaceae | Ipomoea orizabensis  | Ref. |
|
|
zoom in
|
