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CHEBI:216495 - 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene
| Formula | C28H46O3 |
| Net Charge | 0 |
| Average Mass | 430.673 |
| Monoisotopic Mass | 430.34470 |
| SMILES | CC(C)[C@@H](C)C=C[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
| InChI | InChI=1S/C28H46O3/c1-16(2)17(3)7-8-18(4)21-11-12-22-20-10-9-19-13-24(29)25(30)15-27(19,5)23(20)14-26(31)28(21,22)6/h7-8,10,16-19,21-26,29-31H,9,11-15H2,1-6H3/t17-,18+,19-,21+,22-,23-,24+,25-,26-,27-,28+/m0/s1 |
| InChIKey | CUCOHPWAONQECI-QXNDJANTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lasiodiplodia pseudotheobromae (ncbitaxon:466954) | - | DOI (10.1016/j.tetlet.2020.151737) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2beta,3beta,12alpha-trihydroxyergosta-7,22-diene (CHEBI:216495) is a ergostanoid (CHEBI:50403) |
| IUPAC Name |
|---|
| (2S,3R,5S,9R,10S,12S,13R,14S,17R)-17-[(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]phenanthrene-2,3,12-triol |