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CHEBI:70564 - (−)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal
| Formula | C22H32O3 |
| Net Charge | 0 |
| Average Mass | 344.495 |
| Monoisotopic Mass | 344.23514 |
| SMILES | [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]13CCC[C@]2(C)CO[C@H]3OCC |
| InChI | InChI=1S/C22H32O3/c1-5-24-20-22-10-6-9-21(4,13-25-20)19(22)8-7-15-11-16(14(2)3)18(23)12-17(15)22/h11-12,14,19-20,23H,5-10,13H2,1-4H3/t19-,20+,21+,22-/m0/s1 |
| InChIKey | KZYXNKRMNALLBY-CBPXPLCBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fraxinus sieboldiana (ncbitaxon:490850) | stem (BTO:0001300) | PubMed (20961093) | Previous component: stem bark; EtOAc soluble fraction of 95% ethanolic extract of air-dried stem bark |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70564) has role plant metabolite (CHEBI:76924) |
| (−)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70564) is a abietane diterpenoid (CHEBI:36762) |
| (−)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70564) is a cyclic ether (CHEBI:37407) |
| (−)-(4S,5S,10R,20R)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-ethyl acetal (CHEBI:70564) is a tetracyclic diterpenoid (CHEBI:52557) |
| IUPAC Name |
|---|
| (20R)-20-ethoxy-19,20-epoxyabieta-8,11,13-trien-12-ol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21097472 | Reaxys |
| Citations |
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