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CHEBI:134224 - lucibufagin C
| Formula | C28H36O10 |
| Net Charge | 0 |
| Average Mass | 532.586 |
| Monoisotopic Mass | 532.23085 |
| SMILES | [H][C@@]12CC[C@]3(O)C[C@@H](OC(C)=O)[C@@H](OC(C)=O)C[C@]3(C)[C@@]1([H])[C@H](O)C(=O)[C@]1(C)[C@@H](c3ccc(=O)oc3)CC[C@]21O |
| InChI | InChI=1S/C28H36O10/c1-14(29)37-19-11-25(3)22-18(7-9-27(25,34)12-20(19)38-15(2)30)28(35)10-8-17(16-5-6-21(31)36-13-16)26(28,4)24(33)23(22)32/h5-6,13,17-20,22-23,32,34-35H,7-12H2,1-4H3/t17-,18-,19+,20-,22-,23+,25-,26+,27+,28+/m1/s1 |
| InChIKey | DVEVNJSTCHVUOO-AXGBFFCYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Photinus pyralis (ncbitaxon:7054) | |||
| - | MetaboLights (MTBLS362) | ||
| - | PubMed (28004739) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lucibufagin C (CHEBI:134224) has parent hydride 5β-bufanolide (CHEBI:20661) |
| lucibufagin C (CHEBI:134224) is a 11α-hydroxy steroid (CHEBI:19129) |
| lucibufagin C (CHEBI:134224) is a 12-oxo steroid (CHEBI:48070) |
| lucibufagin C (CHEBI:134224) is a 14β-hydroxy steroid (CHEBI:36862) |
| lucibufagin C (CHEBI:134224) is a 2-pyranones (CHEBI:75885) |
| lucibufagin C (CHEBI:134224) is a 5β-hydroxy steroid (CHEBI:38195) |
| lucibufagin C (CHEBI:134224) is a secondary α-hydroxy ketone (CHEBI:2468) |
| lucibufagin C (CHEBI:134224) is a steroid ester (CHEBI:47880) |
| lucibufagin C (CHEBI:134224) is a steroid lactone (CHEBI:26766) |
| IUPAC Name |
|---|
| 2β,3β-bis(acetyloxy)-5β,11α,14-trihydroxy-12-oxobufa-20,22-dienolide |
| Synonym | Source |
|---|---|
| (2β,3β,5β,11α)-2,3-bis(acetyloxy)-5,11,14-trihydroxy-12-oxobufa-20,22-dienolide | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1415624 | Reaxys |
| Citations |
|---|