| Name |
Digitalin
Digitalin
Digitalinum verum
Schmiedeberg's digitalin |
| Formula |
C36H56O14 |
| Mw |
712.3670065 |
| CAS RN |
752-61-4 |
| C_ID |
C00003616
, 
|
| InChIKey |
CKNOLMVLQUPVMU-HUCHKWPBNA-N |
| InChICode |
InChI=1S/C36H56O14/c1-16-30(50-32-28(42)27(41)26(40)23(14-37)49-32)31(45-4)29(43)33(47-16)48-19-7-9-34(2)18(12-19)5-6-21-20(34)8-10-35(3)25(17-11-24(39)46-15-17)22(38)13-36(21,35)44/h11,16,18-23,25-33,37-38,40-44H,5-10,12-15H2,1-4H3/t16-,18+,19-,20-,21+,22-,23-,25-,26-,27-,28+,29+,30-,31+,32-,33+,34-,35+,36-/m0/s1 |
| SMILES |
C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)O)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)CO)O)O)O)OC)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Adenium honghel | Ref. |
| Plantae | Apocynaceae | Cryptostegia grandiflora | Ref. |
| Plantae | Plantaginaceae | Digitalis purpurea  | Ref. |
|
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