Primary Record
Simplexin
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 168265080
- SMILES
- CCCCCCCCCC12O[C@H]3[C@@H]([C@H]([C@]4(O1)[C@@H]5C=C(C(=O)[C@]5([C@@H]([C@@]6([C@H]([C@H]4[C@H]3O2)O6)CO)O)O)C)C)C(=C)C
- Canonical SMILES
- C=C(C)[C@H]1[C@@H]2OC3(CCCCCCCCC)O[C@@H]2[C@@H]2[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]2(O3)[C@@H]1C
Names & Synonyms
- Simplexin
- (1R,2R,6S,7S,8R,10S,11R,12R,16S,17S,18R)-6,7-dihydroxy-8-(hydroxymethyl)-17-isopropenyl-4,18-dimethyl-14-nonyl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one