Primary Record
Simplexin I
- In stock
- 3,353 g
- Purity
- 98.5 %
- CAS
- 1154411-28-5
Compound Identifiers & Properties
- CAS
- 1154411-28-5
- PubChem CID
- 44179337
- SMILES
- CC(C)[C@H]1[C@@H](C[C@@]([C@H]2[C@@H]1[C@@H]3[C@](CC[C@@H]([C@@](C[C@H]2O3)(C)O)OC(=O)C)(C)OC(=O)C)(C)OC(=O)C)O
- Canonical SMILES
- CC(=O)O[C@H]1CC[C@@](C)(OC(C)=O)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](O)C[C@@]1(C)OC(C)=O
Names & Synonyms
- Simplexin I
- RefChem:183102
- CHEMBL563729
- J2.744.885B
- ((1R,2R,3R,4R,6R,7S,8R,10S,11S,14R)-6,14-diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadecan-11-yl) acetate
- (1R,2R,3R,6S,7S,9R,10S,11R,13R,14R)-2,9-Epoxy-3,6,11-triacetoxy-3,7,11-trimethyl-14-isopropylbicyclo[8.4.0]tetradecane-7,13-diol
- (1R,2S,3R,5R,6R,7R,8R,9R,12S,13S)-9,12-bis(acetyloxy)-5,13-dihydroxy-3,9,13-trimethyl-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-3-yl acetate
- [(1R,2R,3R,4R,6R,7S,8R,10S,11S,14R)-6,14-diacetyloxy-4,10-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl] acetate
- 1154411-28-5