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CHEBI:226558 - 2beta,9alpha-dihydroxy-5alpha-methoxyergosta-7, 22-diene
| Formula | C29H48O3 |
| Net Charge | 0 |
| Average Mass | 444.700 |
| Monoisotopic Mass | 444.36035 |
| SMILES | CO[C@@]12CC=C3[C@@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]3(O)[C@@]1(C)C[C@H](O)CC2 |
| InChI | InChI=1S/C29H48O3/c1-19(2)20(3)8-9-21(4)23-10-11-24-25-13-15-28(32-7)14-12-22(30)18-27(28,6)29(25,31)17-16-26(23,24)5/h8-9,13,19-24,30-31H,10-12,14-18H2,1-7H3/b9-8+/t20-,21+,22+,23+,24-,26+,27-,28-,29+/m0/s1 |
| InChIKey | OZENNGVRVKCACI-PKKZDPMKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium solani (ncbitaxon:169388) | - | PubMed (27000714) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2beta,9alpha-dihydroxy-5alpha-methoxyergosta-7, 22-diene (CHEBI:226558) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| (2R,5S,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-5-methoxy-10,13-dimethyl-2,3,4,6,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-2,9-diol |
| Manual Xrefs | Databases |
|---|---|
| 78436183 | ChemSpider |