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CHEBI:70563 - (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal
| Formula | C21H30O3 |
| Net Charge | 0 |
| Average Mass | 330.468 |
| Monoisotopic Mass | 330.21949 |
| SMILES | [H][C@@]12CCc3cc(C(C)C)c(O)cc3[C@@]13CCC[C@]2(C)CO[C@@H]3OC |
| InChI | InChI=1S/C21H30O3/c1-13(2)15-10-14-6-7-18-20(3)8-5-9-21(18,16(14)11-17(15)22)19(23-4)24-12-20/h10-11,13,18-19,22H,5-9,12H2,1-4H3/t18-,19-,20+,21-/m0/s1 |
| InChIKey | UBQQOJDZHPQINO-BURNTYAHSA-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,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) has role plant metabolite (CHEBI:76924) |
| (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a abietane diterpenoid (CHEBI:36762) |
| (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a cyclic ether (CHEBI:37407) |
| (−)-(4S,5S,10R,20S)-12,18-dihydroxyabieta-8,11,13-trien-20-aldehyde 18,20-methyl acetal (CHEBI:70563) is a tetracyclic diterpenoid (CHEBI:52557) |
| IUPAC Name |
|---|
| (20S)-20-methoxy-19,20-epoxyabieta-8,11,13-trien-12-ol |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21097466 | Reaxys |
| Citations |
|---|