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CHEBI:219255 - Inonotsuoxide B
| Formula | C30H50O3 |
| Net Charge | 0 |
| Average Mass | 458.727 |
| Monoisotopic Mass | 458.37600 |
| SMILES | C[C@H]([C@@H]1C[C@H](O)C(C)(C)O1)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 |
| InChI | InChI=1S/C30H50O3/c1-18(22-17-25(32)27(4,5)33-22)19-11-15-30(8)21-9-10-23-26(2,3)24(31)13-14-28(23,6)20(21)12-16-29(19,30)7/h18-19,22-25,31-32H,9-17H2,1-8H3/t18-,19+,22-,23-,24-,25-,28+,29+,30-/m0/s1 |
| InChIKey | DEFBHVGGCIFMGI-TUWHUXBLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | PubMed (17049251) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inonotsuoxide B (CHEBI:219255) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5S)-5-[(1S)-1-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,2-dimethyloxolan-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 23282394 | ChemSpider |