EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:224347 - Inoterpene F
| Formula | C30H48O2 |
| Net Charge | 0 |
| Average Mass | 440.712 |
| Monoisotopic Mass | 440.36543 |
| SMILES | C=C(C)[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/C30H48O2/c1-18(2)19-8-9-20(26(19)32)21-12-16-30(7)23-10-11-24-27(3,4)25(31)14-15-28(24,5)22(23)13-17-29(21,30)6/h19-21,24-26,31-32H,1,8-17H2,2-7H3/t19-,20+,21-,24+,25+,26+,28-,29-,30+/m1/s1 |
| InChIKey | ZWERNHOIIKQJCO-WBQUUXFCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Inonotus obliquus (ncbitaxon:167356) | - | DOI (10.1016/j.tet.2009.01.076) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Inoterpene F (CHEBI:224347) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (3S,5R,10S,13R,14R,17R)-17-[(1S,2R,3R)-2-hydroxy-3-prop-1-en-2-ylcyclopentyl]-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 |
|---|---|
| 78438282 | ChemSpider |