loading...| Preferred Name | metildigoxin | |
| Synonyms |
beta-Methyldigoxin 4'''-Methyldigoxin methyldigoxin medigoxin lanitop lanirapid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_135885 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1761 CAS:30685-43-9 |
|
| formula |
C42H66O14 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
beta-Methyldigoxin 4'''-Methyldigoxin methyldigoxin medigoxin lanitop lanirapid |
|
| id |
CHEBI:135885 |
|
| in_subset | ||
| inchi |
InChI=1S/C42H66O14/c1-20-37(49-6)29(43)16-35(51-20)55-39-22(3)53-36(18-31(39)45)56-38-21(2)52-34(17-30(38)44)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(46)41(5)26(10-12-42(27,41)48)23-13-33(47)50-19-23/h13,20-22,24-32,34-39,43-46,48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1 |
|
| inchikey |
IYJMSDVSVHDVGT-PEQKVOOWSA-N |
|
| label |
metildigoxin |
|
| mass |
794.967 |
|
| monoisotopicmass |
794.44526 |
|
| notation |
CHEBI:135885 |
|
| prefLabel |
metildigoxin |
|
| smiles |
O[C@@]12[C@@](C)([C@H](CC1)C3=CC(OC3)=O)[C@H](O)C[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@@H](C5)O[C@]6(C[C@H](O)[C@@H]([C@H](O6)C)O[C@]7(C[C@H](O)[C@@H]([C@H](O7)C)O[C@]8(C[C@H](O)[C@@H]([C@H](O8)C)OC)[H])[H])[H])[H])[H])[H] |
|
| treeView | ||
| subClassOf |