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CHEBI:70553 - (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal
| Formula | C20H26O3 |
| Net Charge | 0 |
| Average Mass | 314.425 |
| Monoisotopic Mass | 314.18819 |
| SMILES | [H][C@@]12OC[C@@]3(C)CCC[C@@]14C1=CC(=O)C(C(C)C)=C[C@@]1(CC[C@@]34[H])O2 |
| InChI | InChI=1S/C20H26O3/c1-12(2)13-10-19-8-5-15-18(3)6-4-7-20(15,16(19)9-14(13)21)17(23-19)22-11-18/h9-10,12,15,17H,4-8,11H2,1-3H3/t15-,17-,18+,19+,20+/m0/s1 |
| InChIKey | OUHYDBUWCBLVQF-LFAQGZIKSA-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,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) has role plant metabolite (CHEBI:76924) |
| (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a abietane diterpenoid (CHEBI:36762) |
| (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a bridged compound (CHEBI:35990) |
| (−)-(4S,5S,8R,10R,20S)-8,18-dihydroxy-12-oxo-abieta-9(11),13-dien-20-aldehyde 8,18,20-acetal (CHEBI:70553) is a cyclic terpene ketone (CHEBI:36130) |
| IUPAC Name |
|---|
| (20S)-8,20:19,20-diepoxyabieta-9(11),13-dien-12-one |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21097460 | Reaxys |
| Citations |
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