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CHEBI:181940 - Paxillinol
| Formula | C27H35NO4 |
| Net Charge | 0 |
| Average Mass | 437.580 |
| Monoisotopic Mass | 437.25661 |
| SMILES | [H][C@@]12CC[C@@]3(O)C4=C[C@@H](O)[C@@]([H])(C(C)(C)O)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3ccccc3c1C2 |
| InChI | InChI=1S/C27H35NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,20-21,23,28-31H,9-13H2,1-4H3/t15-,20+,21-,23-,25+,26+,27+/m0/s1 |
| InChIKey | KIGDQFBCIVWTLT-ICMCZUSISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Paxillinol (CHEBI:181940) is a organic heterotricyclic compound (CHEBI:26979) |
| Paxillinol (CHEBI:181940) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1S,2R,5S,7S,8R,11S,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaene-8,11-diol |