| Name |
Ouabain |
| Formula |
C29H44O12 |
| Mw |
584.28327687 |
| CAS RN |
630-60-4 |
| C_ID |
C00003633
, 
|
| InChIKey |
LPMXVESGRSUGHW-XIWFDWHXNA-N |
| InChICode |
InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23-,24-,25+,26+,27-,28+,29-/m0/s1 |
| SMILES |
CC1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C(O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Apocynaceae | Acokanthera ouabaio | Ref. |
| Plantae | Apocynaceae | Strophanthus gratus  | Ref. |
|
|
zoom in
|
