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CHEBI:210768 - Inonotsutriol A
| Formula | C30H50O3 |
| Net Charge | 0 |
| Average Mass | 458.727 |
| Monoisotopic Mass | 458.37600 |
| SMILES | CC(C)(O)[C@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4)[C@H]1O |
| InChI | InChI=1S/C30H50O3/c1-26(2)23-11-10-21-20(28(23,5)15-14-24(26)31)13-17-29(6)19(12-16-30(21,29)7)18-8-9-22(25(18)32)27(3,4)33/h18-19,22-25,31-33H,8-17H2,1-7H3/t18-,19-,22+,23+,24+,25-,28-,29-,30+/m1/s1 |
| InChIKey | GYYKDEKKJBJCPY-UFZMFPMGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | DOI (10.1002/hlca.200890165) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inonotsutriol A (CHEBI:210768) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,17R)-17-[(1R,2R,3S)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 78437969 | ChemSpider |