| Name |
Digitoxin |
| Formula |
C41H64O13 |
| Mw |
764.43469213 |
| CAS RN |
71-63-6 |
| C_ID |
C00003617
, 
|
| InChIKey |
WDJUZGPOPHTGOT-WBSNBZLTNA-N |
| InChICode |
InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21+,22-,24+,25-,26+,27-,28+,29-,30+,31-,33-,34+,35+,36+,37-,38-,39-,40+,41-/m0/s1 |
| SMILES |
CC1O[C@H](OC2C(C)O[C@H](O[C@@H]3C(C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5CC[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@H]3O)C[C@@H]2O)C[C@H](O)C1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Digitalis grandiflora  | Ref. |
| Plantae | Plantaginaceae | Digitalis lanata | Ref. |
| Plantae | Plantaginaceae | Digitalis lutea | Ref. |
| Plantae | Plantaginaceae | Digitalis purpurea | Ref. |
|
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