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CHEBI:223708 - 4,24-dimethyl-5alpha-cholest-8(9),24(25)-dien-12beta-acetoxy-3beta-ol-29-oic acid
| Formula | C32H50O5 |
| Net Charge | 0 |
| Average Mass | 514.747 |
| Monoisotopic Mass | 514.36582 |
| SMILES | CC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@](C)(C(=O)O)[C@@H](O)CC[C@]23C)[C@@H]2CC[C@H](C(C)CCC(C)=C(C)C)[C@@]12C |
| InChI | InChI=1S/C32H50O5/c1-18(2)19(3)9-10-20(4)23-12-13-24-22-11-14-26-30(6,16-15-27(34)32(26,8)29(35)36)25(22)17-28(31(23,24)7)37-21(5)33/h20,23-24,26-28,34H,9-17H2,1-8H3,(H,35,36)/t20?,23-,24+,26-,27+,28-,30-,31-,32+/m1/s1 |
| InChIKey | CRDYVWAQFABEKM-HPCGQXGASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gloeophyllum odoratum (ncbitaxon:139427) | - | DOI (10.1007/s10600-015-1207-x) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,24-dimethyl-5alpha-cholest-8(9),24(25)-dien-12beta-acetoxy-3beta-ol-29-oic acid (CHEBI:223708) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| (3S,4S,5R,10S,12R,13R,14S,17R)-12-acetyloxy-17-(5,6-dimethylhept-5-en-2-yl)-3-hydroxy-4,10,13-trimethyl-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436201 | ChemSpider |