| Name |
Gitoxin |
| Formula |
C41H64O14 |
| Mw |
780.42960675 |
| CAS RN |
4562-36-1 |
| C_ID |
C00003622
, 
|
| InChIKey |
LKRDZKPBAOKJBT-AFAKXBSKNA-N |
| InChICode |
InChI=1S/C41H64O14/c1-19-36(47)27(42)14-33(50-19)54-38-21(3)52-34(16-29(38)44)55-37-20(2)51-32(15-28(37)43)53-24-8-10-39(4)23(13-24)6-7-26-25(39)9-11-40(5)35(22-12-31(46)49-18-22)30(45)17-41(26,40)48/h12,19-21,23-30,32-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20+,21+,23-,24+,25+,26-,27+,28+,29+,30+,32-,33+,34-,35+,36+,37+,38+,39+,40-,41+/m1/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]1C[C@@H]([C@H]([C@@H](O1)C)O[C@H]1O[C@H]([C@@H]([C@H](C1)O)O[C@@H]1O[C@@H]([C@@H]([C@H](C1)O)O)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Digitalis lanata  | Ref. |
| Plantae | Plantaginaceae | Digitalis purpurea | Ref. |
|
|
zoom in
|
