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CHEBI:3329 - Calotropin
| Formula | C29H40O9 |
| Net Charge | 0 |
| Average Mass | 532.630 |
| Monoisotopic Mass | 532.26723 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@]3(O)CC[C@]4([H])C3=CC(=O)OC3)[C@@]1(C=O)C[C@@]1([H])O[C@@]3(O)[C@@H](O)C[C@@H](C)O[C@@]3([H])O[C@]1([H])C2 |
| InChI | InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1 |
| InChIKey | OWPWFVVPBYFKBG-NYVHBPEFSA-N |
| Roles Classification |
|---|
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Calotropin (CHEBI:3329) is a cardenolide glycoside (CHEBI:38092) |
| Synonym | Source |
|---|---|
| Calotropin | KEGG COMPOUND |