| Name |
Scammonin II |
| Formula |
C45H78O20 |
| Mw |
938.50864493 |
| CAS RN |
131747-24-5 |
| C_ID |
C00049566
, 
|
| InChIKey |
QHKWTUIZHFKQCZ-SSWGFDKGNA-N |
| InChICode |
InChI=1S/C45H78O20/c1-7-9-15-18-26-19-16-13-11-10-12-14-17-20-28(47)61-39-36(63-42-35(54)32(51)29(48)23(4)56-42)25(6)58-45(40(39)62-41(55)22(3)8-2)65-38-34(53)31(50)27(21-46)60-44(38)64-37-33(52)30(49)24(5)57-43(37)59-26/h22-27,29-40,42-46,48-54H,7-21H2,1-6H3/t22-,23+,24+,25-,26-,27+,29+,30+,31+,32-,33-,34-,35+,36-,37+,38+,39+,40+,42-,43-,44-,45-/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)O)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. |
|
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