| Name |
Scammonin VIII |
| Formula |
C50H84O22 |
| Mw |
1036.54542437 |
| CAS RN |
145042-06-4 |
| C_ID |
C00049570
, 
|
| InChIKey |
QKZUIGHEUSJUPE-YCPBAFNGNA-N |
| InChICode |
InChI=1S/C50H84O22/c1-8-11-17-20-29-21-18-15-13-12-14-16-19-22-32(53)67-43-39(70-47-38(59)40(35(56)31(24-52)65-47)68-45(60)25(4)9-2)28(7)63-50(44(43)69-46(61)26(5)10-3)72-42-37(58)34(55)30(23-51)66-49(42)71-41-36(57)33(54)27(6)62-48(41)64-29/h9,26-31,33-44,47-52,54-59H,8,10-24H2,1-7H3/b25-9+/t26-,27-,28-,29+,30-,31-,33+,34+,35-,36-,37+,38-,39+,40+,41+,42-,43+,44+,47+,48-,49+,50-/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@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)OC(=O)/C(=C/C)/C)O)CO)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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