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CHEBI:202425 - Colobetaolactone B
| Formula | C32H48O5 |
| Net Charge | 0 |
| Average Mass | 512.731 |
| Monoisotopic Mass | 512.35017 |
| SMILES | CC(=O)OC[C@]12CC[C@H](O)C(C)(C)[C@@H]1CCC1=C2CC[C@]2(C)[C@@H]([C@H](C)C3CC=C(C)C(=O)O3)CC[C@@]12C |
| InChI | InChI=1S/C32H48O5/c1-19-8-10-25(37-28(19)35)20(2)22-12-15-31(7)23-9-11-26-29(4,5)27(34)14-17-32(26,18-36-21(3)33)24(23)13-16-30(22,31)6/h8,20,22,25-27,34H,9-18H2,1-7H3/t20-,22+,25?,26-,27-,30+,31-,32-/m0/s1 |
| InChIKey | OPECNRIVPMYGNT-GBMWFCEBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma colossus (ncbitaxon:36070) | - | DOI (10.1021/np000437k) |
| 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) |
| Colobetaolactone B (CHEBI:202425) is a withanolide (CHEBI:74716) |
| IUPAC Name |
|---|
| [(3S,5R,10R,13R,14R,17R)-3-hydroxy-4,4,13,14-tetramethyl-17-[(1S)-1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-10-yl]methyl acetate |
| Manual Xrefs | Databases |
|---|---|
| 8340123 | ChemSpider |