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CHEBI:199730 - A-108835
| Formula | C32H50O8S |
| Net Charge | 0 |
| Average Mass | 594.811 |
| Monoisotopic Mass | 594.32264 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC=C2C3=C([C@@H](O)[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)C[C@@H](O)[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C32H50O8S/c1-17(2)18(3)10-11-19(4)22-13-14-23-21-12-15-25-30(6,7)28(40-41(36,37)38)24(34)16-31(25,8)26(21)27(35)29(32(22,23)9)39-20(5)33/h14,17,19,22,24-25,27-29,34-35H,3,10-13,15-16H2,1-2,4-9H3,(H,36,37,38)/t19-,22-,24-,25+,27-,28+,29+,31+,32-/m1/s1 |
| InChIKey | BGABDSBXSCYPTK-PGHPLGCHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium compactum (ncbitaxon:867872) | - | PubMed (8698636) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| A-108835 (CHEBI:199730) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| [(2R,3R,5R,10S,11R,12R,13R,17R)-2,11-dihydroxy-4,4,10,13-tetramethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-3-sulooxy-1,2,3,5,6,7,11,12,16,17-decahydrocyclopenta[a]phenanthren-12-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 404858 | ChemSpider |