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CHEBI:184020 - Alisol b acetate
| Formula | C32H50O5 |
| Net Charge | 0 |
| Average Mass | 514.747 |
| Monoisotopic Mass | 514.36582 |
| SMILES | [H][C@@]12[C@@H](O)CC3=C([C@H](C)C[C@H](OC(C)=O)[C@@]4([H])OC4(C)C)CC[C@]3(C)[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C |
| InChI | InChI=1S/C32H50O5/c1-18(16-23(36-19(2)33)27-29(5,6)37-27)20-10-14-31(8)21(20)17-22(34)26-30(7)13-12-25(35)28(3,4)24(30)11-15-32(26,31)9/h18,22-24,26-27,34H,10-17H2,1-9H3/t18-,22+,23+,24+,26+,27-,30+,31+,32+/m1/s1 |
| InChIKey | NLOAQXKIIGTTRE-JSWHPQHOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Alisol b acetate (CHEBI:184020) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| [(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 24534152 | ChemSpider |