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CHEBI:199060 - Ergosta-7,22-diene-3beta-yl pentadecanoa
| Formula | C43H74O2 |
| Net Charge | 0 |
| Average Mass | 623.063 |
| Monoisotopic Mass | 622.56888 |
| SMILES | CCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC=C3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]32)C1 |
| InChI | InChI=1S/C43H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-41(44)45-36-27-29-42(6)35(31-36)23-24-37-39-26-25-38(43(39,7)30-28-40(37)42)34(5)22-21-33(4)32(2)3/h21-22,24,32-36,38-40H,8-20,23,25-31H2,1-7H3/b22-21+/t33-,34+,35-,36-,38+,39-,40-,42-,43+/m0/s1 |
| InChIKey | KAAPPNYFWFPISZ-IGKGKXGSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma lucidum (ncbitaxon:5315) | - | PubMed (16356517) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ergosta-7,22-diene-3beta-yl pentadecanoa (CHEBI:199060) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| [(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] pentadecanoate |
| Manual Xrefs | Databases |
|---|---|
| 78442470 | ChemSpider |