| Name |
Scammonin VI |
| Formula |
C45H76O20 |
| Mw |
936.49299487 |
| CAS RN |
133697-11-7 |
| C_ID |
C00049568
, 
|
| InChIKey |
MDEMDKARDFUEHH-UYOCIXKTNA-N |
| InChICode |
InChI=1S/C45H76O20/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/h8,23-27,29-40,42-46,48-54H,7,9-21H2,1-6H3/b22-8-/t23-,24+,25+,26-,27+,29-,30+,31+,32+,33+,34-,35-,36-,37-,38+,39+,40-,42-,43+,44-,45+/m1/s1 |
| SMILES |
[C@@H]12O[C@H]3[C@H](O[C@@H](CCCCCCCCCC(=O)O[C@@H]4[C@@H](OC(=O)/C(=C\C)/C)[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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