EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C15H25ClO3 |
| Net Charge | 0 |
| Average Mass | 288.815 |
| Monoisotopic Mass | 288.14922 |
| SMILES | CC(=O)[C@]1(C)[C@H]2CC[C@H](C)C[C@@H]2[C@H](Cl)[C@@H](O)[C@@]1(C)O |
| InChI | InChI=1S/C15H25ClO3/c1-8-5-6-11-10(7-8)12(16)13(18)15(4,19)14(11,3)9(2)17/h8,10-13,18-19H,5-7H2,1-4H3/t8-,10-,11-,12-,13+,14+,15+/m0/s1 |
| InChIKey | XPOAGAIJUCCWJL-PNBUFGJVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Libertalide K (CHEBI:208552) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| 1-[(1R,2S,3S,4S,4aS,6S,8aS)-4-chloro-2,3-dihydroxy-1,2,6-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone |
| Manual Xrefs | Databases |
|---|---|
| 78439023 | ChemSpider |