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CHEBI:210131 - 16-O-deacetylhelvolic acid 21,16-lactone
| Formula | C31H40O6 |
| Net Charge | 0 |
| Average Mass | 508.655 |
| Monoisotopic Mass | 508.28249 |
| SMILES | CC(=O)O[C@@H]1C(=O)[C@@]2(C)[C@@H](CC[C@H]3C4=C(CCC=C(C)C)C(=O)O[C@H]4C[C@@]32C)[C@@]2(C)C=CC(=O)[C@@H](C)[C@H]12 |
| InChI | InChI=1S/C31H40O6/c1-16(2)9-8-10-19-24-20-11-12-23-29(5)14-13-21(33)17(3)25(29)26(36-18(4)32)27(34)31(23,7)30(20,6)15-22(24)37-28(19)35/h9,13-14,17,20,22-23,25-26H,8,10-12,15H2,1-7H3/t17-,20+,22+,23+,25-,26+,29-,30+,31-/m1/s1 |
| InChIKey | UJLGIFPRBONJKE-PREXDRGQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (30070829) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 16-O-deacetylhelvolic acid 21,16-lactone (CHEBI:210131) is a steroid lactone (CHEBI:26766) |
| IUPAC Name |
|---|
| [(1S,2S,4S,9R,12S,13R,17S,18S,19S)-1,2,13,17-tetramethyl-7-(4-methylpent-3-enyl)-6,16,20-trioxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-7,14-dien-19-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 71044363 | ChemSpider |