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CHEBI:204710 - Inonotsuoxodiol A
| Formula | C30H48O3 |
| Net Charge | 0 |
| Average Mass | 456.711 |
| Monoisotopic Mass | 456.36035 |
| SMILES | CC(C)=CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C30H48O3/c1-18(2)9-11-22(31)19(3)20-13-16-29(7)21-10-12-24-27(4,5)25(33)14-15-28(24,6)26(21)23(32)17-30(20,29)8/h9,19-20,22,24-25,31,33H,10-17H2,1-8H3/t19-,20+,22+,24-,25-,28-,29-,30+/m0/s1 |
| InChIKey | IJDKSGMUNLLABQ-VOLPLGQESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | PubMed (20691456) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inonotsuoxodiol A (CHEBI:204710) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one |
| Manual Xrefs | Databases |
|---|---|
| 78437184 | ChemSpider |